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 |
