3ZG1
NI-BOUND FORM OF M123A MUTANT OF CUPRIAVIDUS METALLIDURANS CH34 CNRXS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.846, 79.125, 93.475 |
| Unit cell angles | 90.00, 90.10, 90.00 |
Refinement procedure
| Resolution | 46.737 - 1.850 |
| R-factor | 0.177 |
| Rwork | 0.176 |
| R-free | 0.22240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2y3h |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.598 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.740 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.090 | 0.970 |
| Number of reflections | 39483 | |
| <I/σ(I)> | 11.3 | 1.5 |
| Completeness [%] | 99.5 | 98 |
| Redundancy | 5.3 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 16-20% PEG2000MME, 15% GLYCEROL |
