2X2P
The flavoprotein NrdI from Bacillus cereus with the initially semiquinone FMN cofactor in an intermediate radiation reduced state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM1A |
Synchrotron site | ESRF |
Beamline | BM1A |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2009-02-09 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.955, 45.485, 56.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.150 |
R-free | 0.19120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rlj |
RMSD bond length | 0.013 |
RMSD bond angle | 0.032 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.090 | 1.210 |
High resolution limit [Å] | 1.150 | 1.150 |
Rmerge | 0.060 | 0.490 |
Number of reflections | 39780 | |
<I/σ(I)> | 14.4 | 2.6 |
Completeness [%] | 99.9 | 100 |
Redundancy | 4.9 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 0.1 M SODIUM CACODYLATE TRIHYDRATE PH 6.5, 0.2 M ZINC ACETATE DIHYDRATE, 14 %(W/V) PEG 8000 |