2JI2
X-ray structure of E114A mutant of superoxide reductase from Desulfoarculus baarsii in the native, reduced form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-05-12 |
| Detector | ADSC CCD |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 70.470, 82.870, 201.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.400 - 1.700 |
| R-factor | 0.195 |
| Rwork | 0.195 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vzi |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.400 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.080 | 0.340 |
| Number of reflections | 62357 | |
| <I/σ(I)> | 10.1 | 4 |
| Completeness [%] | 95.4 | 82.8 |
| Redundancy | 4.2 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 16% PEG 4000, 100 MM TRIS/HNO3 PH9.0, 0.2 M CA(NO3)2 AND 25MG/ML PROTEIN MIXED 1:1 HANGING DROP VAPOUR DIFFUSION, 20 C, pH 9.00 |
