4IR0
Crystal Structure of Metallothiol Transferase FosB 2 from Bacillus anthracis str. Ames
Replaces: 3UH9Experimental 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 | 2011-10-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97924 |
| Spacegroup name | P 43 |
| Unit cell lengths | 48.241, 48.241, 147.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.449 - 1.600 |
| R-factor | 0.187 |
| Rwork | 0.184 |
| R-free | 0.20100 |
| Structure solution method | SAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.949 |
| 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 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 43924 | |
| <I/σ(I)> | 12.9 | 2.6 |
| Completeness [%] | 99.1 | 93.4 |
| Redundancy | 7.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 289 | 10.7% PEG 3000, 50mM Tris pH7.6, 8.6% PEG2000 MME, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
