5H3R
Crystal Structure of mutant MarR C80S from E.coli complexed with operator DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0055 |
| Spacegroup name | P 61 |
| Unit cell lengths | 67.435, 67.435, 219.951 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.717 - 2.670 |
| R-factor | 0.2033 |
| Rwork | 0.199 |
| R-free | 0.24110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3q5f |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.711 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.720 |
| High resolution limit [Å] | 2.670 | 2.670 |
| Rmerge | 0.112 | 0.986 |
| Number of reflections | 16057 | |
| <I/σ(I)> | 24.03 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.5 | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG 5000 MME, sodium cacodylate, magnesium chloride, sodium chloride |
