5F6Q
Crystal Structure of Metallothiol Transferase 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 | 2013-10-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97924 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 84.873, 84.793, 109.571 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.390 - 1.520 |
R-factor | 0.1464 |
Rwork | 0.145 |
R-free | 0.16941 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jdi |
RMSD bond length | 0.010 |
RMSD bond angle | 1.377 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.550 |
High resolution limit [Å] | 1.520 | 1.520 |
Rmerge | 0.699 | |
Number of reflections | 60636 | |
<I/σ(I)> | 24.8 | 2.04 |
Completeness [%] | 99.7 | 96.9 |
Redundancy | 7.7 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.2 M ammonium sulfate; 0.1M BIS-TRIS pH 6.5; 25% PEG 3350 |