6VJB
Crystal structure of a catalytically inactive CXC Chemokine-degrading protease SpyCEP from Streptococcus pyogenes
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-09-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.93940 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 140.500, 121.750, 106.640 |
Unit cell angles | 90.00, 111.78, 90.00 |
Refinement procedure
Resolution | 44.510 - 2.240 |
R-factor | 0.193 |
Rwork | 0.190 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xyr |
RMSD bond length | 0.009 |
RMSD bond angle | 1.150 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 89.000 | 2.290 |
High resolution limit [Å] | 2.200 | 2.240 |
Rmeas | 0.110 | 0.790 |
Rpim | 0.080 | 0.560 |
Number of reflections | 76948 | 3691 |
<I/σ(I)> | 6.2 | 1.6 |
Completeness [%] | 96.6 | 78.6 |
Redundancy | 2.2 | 2 |
CC(1/2) | 0.990 | 0.560 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M ammonium formate, 20% PEG 3350 |