3S2W
The crystal structure of a MarR transcriptional regulator from Methanosarcina mazei Go1
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-25 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97926, 0.97940 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.943, 300.077, 55.711 |
| Unit cell angles | 90.00, 111.13, 90.00 |
Refinement procedure
| Resolution | 46.113 - 2.453 |
| R-factor | 0.1828 |
| Rwork | 0.179 |
| R-free | 0.24620 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.120 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.000 | 2.490 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.105 | 0.677 |
| Number of reflections | 47529 | |
| <I/σ(I)> | 21.4 | 1.5 |
| Completeness [%] | 99.6 | 96.7 |
| Redundancy | 3.7 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 0.2M Li Sulfate, 0.1M Bis-Tris, 25% w/v PEG 3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
