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 |