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 |