4C4U
Superoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus E12Q mutant in the reduced form
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 | 2012-09-30 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 99.158, 108.317, 188.423 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.947 - 2.583 |
| R-factor | 0.2516 |
| Rwork | 0.248 |
| R-free | 0.31640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bgl |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.401 |
| Data reduction software | XDS (PROGRAM PACKAGE) |
| Data scaling software | XDS (PROGRAM PACKAGE) |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.900 | 2.620 |
| High resolution limit [Å] | 2.580 | 2.580 |
| Rmerge | 0.170 | 0.670 |
| Number of reflections | 64229 | |
| <I/σ(I)> | 7.9 | 2.2 |
| Completeness [%] | 99.7 | 98.9 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 0.1 M SODIUM ACETATE, PH 4.6 AND 12% PEG 300 |
