Data DOI: 10.15785/SBGRID/78 | ID: 78
Publication DOI: 10.1016/j.str.2011.03.012
3QCW Coordinates: Viewer, PDB (RCSB) (PDBe), MMDB
Rudenko Laboratory, University of Texas Medical Branch
Release Date: 11 May 2015
1. If this dataset is locally available, it should be accessable at /programs/datagrid/78
2. To download this dataset, please run the following command from your Terminal on a Linux or OS X workstation:
'rsync -av rsync://data.sbgrid.org/10.15785/SBGRID/78 .' (Harvard Medical School, USA)
Depending on your location, faster access may be available from a Tier 1 site closer to your location
'rsync -av rsync://sbgrid.icm.uu.se/10.15785/SBGRID/78 .' (Uppsala University, Sweden)
'rsync -av rsync://sbgrid.pasteur.edu.uy/10.15785/SBGRID/78 .' (Institut Pasteur de Montevideo, Uruguay)
'rsync -av rsync://sbgrid.ncpss.org/10.15785/SBGRID/78 .' (Shanghai Institutes for Biological Sciences, China)
3. After the transfer is completed, please issue the following command to verify data integrity:
'cd 78 ; shasum -c files.sha'
Storage requirements: 20G
Biological Sample:
neurexin 1alpha extracellular domain
Dataset Type:
X-Ray Diffraction
Subject Composition:
Protein
Collection Facility:
APS (Chicago, IL) beam-line LS-CAT 21-ID-D
Data Creation Date:
12 Jun 2010
Related Datasets:
Rudenko, G. 2015. "X-Ray Diffraction data for: neurexin 1alpha extracellular domain. PDB Code 3QCW", SBGrid Data Bank, V1, https://doi.org/10.15785/SBGRID/78.
native high resolution data set used for final refinement of structure 3QCW; 5 wedges of 125 frames each, 0.5 degree oscillation angle; collected at 1.12718 Ang (10 999.5 eV); XD 300 mm MarMosaic CCD 300 detector; beam position (x: 150.0 mm , y: 150.0 mm)
| Name | Additional Roles | Affiliation While Working on the Project |
|---|---|---|
| Gabrielle Rudenko | Data Collector, Depositor | UTMB |
| Gabrielle Rudenko | PI | University of Texas Medical Branch |
data processed with HKL2000 (50 - 2.65 Ang, space group P1). Integration: use 'overlap spot' command; Scaling: use 'non-slipping crystal, imperfect goniostat'; absorption correction high commands; Convert data from Is to Fs and Truncate using CCP4.
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 1.12718
Sweep:
SWEEP5
Files:
/programs/datagrid/78/n190q_012_0.###
Images:
1 - 125
Beam:
(150.0, 150.0) -> (150.0, 149.93)
Distance:
300.0 -> 299.56
Spacegroup:
P 1
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.29 | 6.21 | 2.29 |
| Low resolution limit | 50.58 | 50.6 | 2.33 |
| Completeness | 84.5 | 99.1 | 30.9 |
| Multiplicity | 3.0 | 3.4 | 1.2 |
| I/sigma | 6.9 | 17.1 | 0.6 |
| Rmerge | 0.078 | 0.04 | 0.0 |
| CC half | 0.988 | 0.979 | 0.276 |
| Anomalous completeness | 73.7 | 96.6 | 6.9 |
| Anomalous multiplicity | 1.6 | 1.6 | 1.6 |
| Cell | 61.06 | 115.01 | 160.47 | 90.45 | 90.54 | 92.11 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 1.12718
Sweep:
SWEEP5
Files:
/programs/datagrid/78/n190q_012_0.###
Images:
1 - 125
Beam:
(150.0, 150.0) -> (150.0, 149.92)
Distance:
300.0 -> 299.77
Spacegroup:
P 1
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 2.29 | 6.21 | 2.29 |
| Low resolution limit | 57.46 | 57.48 | 2.33 |
| Completeness | 84.5 | 99.1 | 30.8 |
| Multiplicity | 3.0 | 3.4 | 1.2 |
| I/sigma | 6.9 | 17.1 | 0.6 |
| Rmerge | 0.078 | 0.04 | 0.0 |
| CC half | 0.976 | 0.955 | 0.275 |
| Anomalous completeness | 73.5 | 96.6 | 6.9 |
| Anomalous multiplicity | 1.6 | 1.6 | 1.6 |
| Cell | 61.06 | 115.01 | 160.47 | 90.45 | 90.54 | 92.11 |
|---|
Version:
version unreported
Project:
AUTOMATIC
Crystal:
DEFAULT
Sequence Length:
0
Wavelength:
SAD - 1.12718
Sweep:
SWEEP5
Files:
/programs/datagrid/78/n190q_012_0.###
Images:
1 - 125
Beam:
(150.0, 150.0) -> (150.0, 150.01)
Distance:
300.0 -> 299.89
Spacegroup:
P 1
For AUTOMATIC/DEFAULT/SAD:
| ALL | LOW | HIGH | |
|---|---|---|---|
| High resolution limit | 1.86 | 5.06 | 1.86 |
| Low resolution limit | 160.74 | 161.34 | 1.89 |
| Completeness | 59.1 | 99.5 | 2.1 |
| Multiplicity | 3.4 | 3.5 | 2.2 |
| I/sigma | 6.7 | 27.0 | 15.4 |
| Rmerge | 0.186 | 0.072 | 0.576 |
| CC half | 0.861 | 0.957 | 0.316 |
| Anomalous completeness | 58.7 | 99.4 | 1.4 |
| Anomalous multiplicity | 1.7 | 1.7 | 1.7 |
| Cell | 61.109 | 115.106 | 160.749 | 90.328 | 90.476 | 92.149 |
|---|
License: CC0
Terms: Our Community Norms as well as good scientific practices expect that proper credit is given via citation. Please use the data citation, as generated by the SBGrid Data Bank.
