4C4B
Superoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus E12V 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 | I 21 21 21 |
| Unit cell lengths | 93.264, 99.170, 106.199 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.477 - 2.500 |
| R-factor | 0.1785 |
| Rwork | 0.177 |
| R-free | 0.21530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bgl |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.138 |
| Data reduction software | XDS (PROGRAM PACKAGE) |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.840 | 2.650 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.090 | 0.510 |
| Number of reflections | 17359 | |
| <I/σ(I)> | 10.5 | 2.6 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 4.9 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.1 M HEPES PH 7.0 AND 26% MPD |
