2P0B
Crystal structure of chemically-reduced E.coli nrfB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Detector technology | CCD |
Collection date | 2006-05-05 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.727, 59.433, 65.318 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 7.990 - 1.740 |
R-factor | 0.161 |
Rwork | 0.159 |
R-free | 0.19200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | OXIDISED STRUCTURE OF NRFB |
RMSD bond length | 0.012 |
RMSD bond angle | 1.577 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.980 | 65.370 | 1.830 |
High resolution limit [Å] | 1.740 | 5.500 | 1.740 |
Rmerge | 0.131 | 0.054 | 0.433 |
Total number of observations | 2620 | 11458 | |
Number of reflections | 19070 | ||
<I/σ(I)> | 4.7 | 11.6 | 1.5 |
Completeness [%] | 94.0 | 84.1 | 97 |
Redundancy | 4.2 | 4.4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 289 | Purified NrfB was concentrated to 8 mg/ml before crystallization. Crystals were obtained by the vapour diffusion method under anaerobic conditions using 250 mM tri-sodium citrate, 10 mM Na2S2O4 and 20 % (v/v) isopropanol in 100 mM sodium HEPES pH 7.5. Crystals were soaked in 100 mM Na2S2O4 prior to harvesting, temperature 289K |