4YU5
Crystal structure of selenomethionine variant of Bacillus anthracis immune inhibitor A2 peptidase zymogen
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97926, 0.93923 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 97.610, 102.410, 242.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.460 - 2.900 |
| R-factor | 0.1827 |
| Rwork | 0.182 |
| R-free | 0.20710 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.140 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.800 | 3.070 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.114 | 0.672 |
| Number of reflections | 54813 | |
| <I/σ(I)> | 15.2 | 4.2 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 8.4 | 8.5 |
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 |
