4N83
X-ray crystal structure of Streptococcus sanguinis dimanganese(II)-NrdF
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 |
| Collection date | 2012-12-03 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.078 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 117.657, 80.224, 166.374 |
| Unit cell angles | 90.00, 105.91, 90.00 |
Refinement procedure
| Resolution | 29.900 - 2.650 |
| R-factor | 0.2377 |
| Rwork | 0.235 |
| R-free | 0.27780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n37 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.806 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 29.881 |
| High resolution limit [Å] | 2.650 |
| Number of reflections | 86753 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 298 | PEG 3000, magnesium formate, pH 7.6, vapor diffusion, hanging drop, temperature 298K |
