4M1I
X-ray crystal structure of Chlamydia trachomatis Mn(II)Fe(II)-NrdB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2012-06-17 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.897, 97.455, 99.315 |
| Unit cell angles | 90.00, 97.77, 90.00 |
Refinement procedure
| Resolution | 30.848 - 1.800 |
| R-factor | 0.174 |
| Rwork | 0.172 |
| R-free | 0.20220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1syy |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.011 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.848 | |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 130463 | |
| <I/σ(I)> | 16.8 | |
| Completeness [%] | 99.9 | |
| Redundancy | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 0.2 M sodium acetate, 10% PEG3000, 0.1 M HEPES, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
