4J42
The crystal structure of a secreted protein EsxB (Mutant Y65F) from Bacillus anthracis str. Sterne
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97921 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 76.221, 76.221, 71.380 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.619 - 1.280 |
| R-factor | 0.1631 |
| Rwork | 0.163 |
| R-free | 0.17390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4iyi |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.969 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.000 | 1.300 |
| High resolution limit [Å] | 1.280 | 1.280 |
| Rmerge | 0.042 | 0.657 |
| Number of reflections | 61931 | |
| <I/σ(I)> | 40.7 | 2.2 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 6.5 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 297 | 0.1M Bis-Tris propane, 2M di-ammonium hydrogen citrate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K |
