3R5Y
Structure of a Deazaflavin-dependent nitroreductase from Nocardia farcinica, with co-factor F420
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.976 |
Spacegroup name | P 43 |
Unit cell lengths | 71.956, 71.956, 115.469 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.031 - 1.801 |
R-factor | 0.1751 |
Rwork | 0.173 |
R-free | 0.21430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3r5p |
RMSD bond length | 0.008 |
RMSD bond angle | 1.131 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | PHENIX (1.5_2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
Rmerge | 0.088 | 0.054 | 0.665 |
Number of reflections | 54170 | ||
<I/σ(I)> | 28.2 | 54.508 | 1.944 |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 5.4 | 5.3 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 40% MPD, 0.1M sodium acetate trihydrate with equimolar protein and co-factor, pH 5.0, vapor diffusion, sitting drop, temperature 277K |