3JW4
The structure of a putative MarR family transcriptional regulator from Clostridium acetobutylicum
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 | 2008-03-05 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 0.97949, 0.97935 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 105.115, 53.295, 90.821 |
| Unit cell angles | 90.00, 112.02, 90.00 |
Refinement procedure
| Resolution | 29.600 - 2.100 |
| R-factor | 0.203 |
| Rwork | 0.201 |
| R-free | 0.24200 |
| Structure solution method | MAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.319 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MLPHARE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.092 | 0.453 |
| Number of reflections | 27599 | |
| <I/σ(I)> | 7.8 | |
| Completeness [%] | 99.6 | 99.8 |
| Redundancy | 7.6 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 0.2M potassium thiocyanate, 20% PEG 3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
