4J7K
The crystal structure of a secreted protein EsxB (Mutant E54Q) 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) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.274, 132.473, 38.347 |
| Unit cell angles | 90.00, 97.63, 90.00 |
Refinement procedure
| Resolution | 38.000 - 1.660 |
| R-factor | 0.1774 |
| Rwork | 0.175 |
| R-free | 0.21670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4j11 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.933 |
| 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] | 38.000 | 1.690 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.069 | 0.290 |
| Number of reflections | 35247 | |
| <I/σ(I)> | 27 | 3.3 |
| Completeness [%] | 96.9 | 83 |
| Redundancy | 3.7 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 297 | 0.17M Ammonium Acetate, 0.085M Sodium Acetate:HCl, 25.5%(w/v)PEG4000, 15%(v/v)Glycerol, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 297K |
