3G3Z
The structure of NMB1585, a MarR family regulator from Neisseria 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 | 2004-07-09 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.90777, 0.97912, 0.97889 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.001, 64.367, 61.066 |
| Unit cell angles | 90.00, 91.12, 90.00 |
Refinement procedure
| Resolution | 27.650 - 2.100 |
| R-factor | 0.20635 |
| Rwork | 0.203 |
| R-free | 0.26581 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.043 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0047) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.063 | 0.264 |
| Number of reflections | 14294 | |
| <I/σ(I)> | 17.4 | 1.7 |
| Completeness [%] | 89.4 | 48.1 |
| Redundancy | 3.2 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1M Hepes, 25%(w/v) PEG 3350, 0.2M ammonium chloride, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
