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 |
