5IUC
Crystal structure of the GspB siglec domain with sialyl T antigen bound
Replaces: 4I8EReplaces: 3QD1Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-17 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 67.670, 66.547, 55.854 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.859 - 1.253 |
R-factor | 0.1567 |
Rwork | 0.156 |
R-free | 0.17780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qc5 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.507 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.290 |
High resolution limit [Å] | 1.250 | 2.690 | 1.250 |
Rmerge | 0.066 | 0.048 | 0.406 |
Rmeas | 0.068 | ||
Rpim | 0.018 | ||
Total number of observations | 997601 | ||
Number of reflections | 67016 | ||
<I/σ(I)> | 13 | ||
Completeness [%] | 95.8 | 98.6 | 91.4 |
Redundancy | 14.9 | 14.2 | 14.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 295 | PEG 3350, NaCl, Bis-Tris |