3MEX
Crystal structure of MexR in oxidized state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 173 |
| Detector technology | CCD |
| Collection date | 2009-02-20 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.554, 72.183, 98.173 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.100 |
| R-factor | 0.21769 |
| Rwork | 0.215 |
| R-free | 0.26033 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lnw |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.369 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.078 | 0.486 |
| Number of reflections | 17076 | |
| <I/σ(I)> | 26 | 6 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 7.1 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 2.8M sodium acetate trihydrate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
