5FR3
X-ray crystal structure of aggregation-resistant protective antigen of Bacillus anthracis (mutant S559L T576E)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-13 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.547, 94.714, 100.627 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.433 - 1.935 |
| R-factor | 0.1798 |
| Rwork | 0.178 |
| R-free | 0.22720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1acc |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.953 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.450 | 2.040 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.010 | 0.830 |
| Number of reflections | 203741 | |
| <I/σ(I)> | 8 | 1.4 |
| Completeness [%] | 98.7 | 97.2 |
| Redundancy | 3.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 20 MM MGCL2, 100 MM HEPES PH 7.5, 22% POLY(ACRYLIC ACID SODIUM SALT) 5100 |
