4JD1
Crystal Structure of Metallothiol Transferase FosB 2 from Bacillus anthracis str. Ames
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 | 2013-01-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97929 |
| Spacegroup name | P 43 |
| Unit cell lengths | 48.157, 48.157, 147.588 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.414 - 1.700 |
| R-factor | 0.174 |
| Rwork | 0.172 |
| R-free | 0.19300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ir0 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.446 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: dev_1227)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 36837 | |
| <I/σ(I)> | 13.5 | 4.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.1 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 4.3% PEG 2000, 50 mM Tris pH 8.0, 28.6% PEG550 MME, 20 mM BOH, 5 mM fosfomycin, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
