4BFF
Superoxide reductase (Neelaredoxin) from Archaeoglobus fulgidus 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 | 2012-09-29 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 99.324, 100.230, 109.681 |
| Unit cell angles | 90.00, 90.11, 90.00 |
Refinement procedure
| Resolution | 48.110 - 2.000 |
| R-factor | 0.2082 |
| Rwork | 0.206 |
| R-free | 0.25360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bgl |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.029 |
| 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] | 48.110 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.070 | 0.450 |
| Number of reflections | 130629 | |
| <I/σ(I)> | 8.6 | 1.9 |
| Completeness [%] | 90.4 | 93.3 |
| Redundancy | 2.1 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 0.1M SODIUM ACETATE PH4.6, 0.2M AMMONIUM SULPHATE AND 20% (V/V) PEG 4000 |
