4YU6
Crystal structure of Bacillus anthracis immune inhibitor A2 peptidase zymogen
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-01-24 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.97934 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 176.980, 108.870, 100.410 |
Unit cell angles | 90.00, 119.07, 90.00 |
Refinement procedure
Resolution | 47.670 - 2.600 |
R-factor | 0.1714 |
Rwork | 0.171 |
R-free | 0.21130 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.150 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.700 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.105 | 0.956 |
Number of reflections | 51133 | |
<I/σ(I)> | 14.8 | 2.1 |
Completeness [%] | 99.5 | 99.2 |
Redundancy | 6.8 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1 M BIS-TRIS propane, 0.2 M potassium sodium tartrate, 20% (w/v) PEG 3350 |