4XYD
Nitric oxide reductase from Roseobacter denitrificans (RdNOR)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-03-12 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9762 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 86.220, 98.830, 126.780 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.360 - 2.850 |
R-factor | 0.19135 |
Rwork | 0.188 |
R-free | 0.24348 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3o0r |
RMSD bond length | 0.009 |
RMSD bond angle | 1.588 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.360 | 3.000 |
High resolution limit [Å] | 2.850 | 2.850 |
Number of reflections | 25236 | |
<I/σ(I)> | 13.3 | 3.4 |
Completeness [%] | 97.2 | 84.7 |
Redundancy | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 277 | Crystallization reagent composed of 100 mM MOPS pH 7.6, 28 % (w/v) PEG 600. Protein solution 8mg/ml 20 mM MOPS pH 7.2, 100 mM NaCl, 0.4 % (w/v) nonyl-B-D-glucopyranoside. Mixed 1:1 in sitting drop at 4C. |