2XED
Nocardia farcinica maleate cis-trans isomerase C194S mutant with a covalently bound succinylcysteine intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-06 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.980, 85.670, 239.940 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.950 |
| R-factor | 0.22402 |
| Rwork | 0.222 |
| R-free | 0.25957 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xec |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.348 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.980 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.100 | 0.720 |
| Number of reflections | 80183 | |
| <I/σ(I)> | 9.1 | 2.3 |
| Completeness [%] | 99.4 | 99.8 |
| Redundancy | 5.9 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 20 MM NH4 FORMATE 100 MM MES PH 6.5 20% PEG 3350 50 MM NA MALEATE |
