4D8F
Chlamydia trachomatis NrdB with a Mn/Fe cofactor (procedure 1 - high Mn)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Wavelength(s) | 1.85, 1.72 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.221, 97.998, 100.291 |
| Unit cell angles | 90.00, 97.79, 90.00 |
Refinement procedure
| Resolution | 29.660 - 2.200 |
| R-factor | 0.1881 |
| Rwork | 0.186 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1syy |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.002 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.200 |
| Number of reflections | 72917 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 298 | PEG 3000, sodium acetate, pH 7.6, vapor diffusion, hanging drop, temperature 298K |
