3JV9
The structure of a reduced form of OxyR from N. meningitidis
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9785, 0.9070 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.813, 56.075, 81.247 |
| Unit cell angles | 90.00, 104.91, 90.00 |
Refinement procedure
| Resolution | 29.798 - 2.390 |
| R-factor | 0.2274 |
| Rwork | 0.224 |
| R-free | 0.28570 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.331 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | PHENIX ((phenix.refine: 1.4_129)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.490 |
| High resolution limit [Å] | 2.390 | 2.400 |
| Rmerge | 0.129 | 0.554 |
| Number of reflections | 16661 | |
| <I/σ(I)> | 18.4 | 2.6 |
| Completeness [%] | 96.8 | 76.1 |
| Redundancy | 6.9 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 20% PEG 3350, 0.2M calcium acetate, 0.2mM TCEP, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
