4J11
The crystal structure of a secreted protein ESXB (wild-type, in P21 space group) from Bacillus anthracis str. sterne
Replaces: 4IOGExperimental 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 | 2011-10-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97929 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.686, 132.846, 38.675 |
| Unit cell angles | 90.00, 98.41, 90.00 |
Refinement procedure
| Resolution | 31.300 - 1.440 |
| R-factor | 0.17 |
| Rwork | 0.169 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | : 4IOE |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.982 |
| 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] | 31.300 | 1.460 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.068 | 0.282 |
| Number of reflections | 55739 | |
| <I/σ(I)> | 35.2 | 5.9 |
| Completeness [%] | 98.2 | 85 |
| Redundancy | 4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 0.2M SODIUM CHLORIDE, 0.1M TRIS:HCL, 30% (W/V) PEG3000, PH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
