2JI1
X-ray structure of wild-type superoxide reductase from Desulfoarculus baarsii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-06-18 |
| Detector | ADSC CCD |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 70.393, 82.985, 204.349 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.810 - 1.700 |
| R-factor | 0.204 |
| Rwork | 0.204 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vzi |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.970 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.100 | 0.440 |
| Number of reflections | 64718 | |
| <I/σ(I)> | 11.7 | 1.6 |
| Completeness [%] | 98.2 | 91 |
| Redundancy | 3.8 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 16% PEG 4000, 100 MM TRIS/HNO3 PH9.0, 150 MM CA(NO3)2 AND 25 MG/ML PROTEIN MIXED 1:1, HANGING DROP VAPOUR DIFFUSION, 20 C, pH 9.00 |
