6DAW
X-ray crystal structure of NapI L-arginine desaturase bound to Fe(II), L-arginine, and acetate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-12-12 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.979 |
Spacegroup name | P 62 |
Unit cell lengths | 121.631, 121.631, 82.054 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.100 |
R-factor | 0.2048 |
Rwork | 0.203 |
R-free | 0.24780 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.943 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
Rmerge | 0.116 | 0.054 | 0.903 |
Rmeas | 0.122 | 0.058 | 0.951 |
Rpim | 0.038 | 0.019 | 0.298 |
Number of reflections | 40215 | 2092 | 1986 |
<I/σ(I)> | 7.2 | ||
Completeness [%] | 99.6 | 100 | 99.7 |
Redundancy | 10.2 | 9.9 | 10 |
CC(1/2) | 0.998 | 0.816 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7.5 | 293 | potassium acetate, HEPES |