6WK3
Engineered carbene transferase RmaNOD Q52V, putative nitric oxide dioxygenase from Rhodothermus marinus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-01-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.74035 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 124.269, 102.472, 84.273 |
Unit cell angles | 90.00, 98.53, 90.00 |
Refinement procedure
Resolution | 41.670 - 2.450 |
R-factor | 0.2096 |
Rwork | 0.208 |
R-free | 0.24700 |
Structure solution method | SAD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.735 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX (1.17.1_3660) |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.650 | 2.538 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.113 | 1.353 |
Rmeas | 0.123 | 1.462 |
Rpim | 0.064 | 0.790 |
Number of reflections | 36944 | 3602 |
<I/σ(I)> | 11.7 | 1.8 |
Completeness [%] | 96.0 | 94.17 |
Redundancy | 6.7 | 7.1 |
CC(1/2) | 0.996 | 0.717 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 293 | 40 mM Cu(II)SO4, 0.1M HEPES pH 7.6, 1.2 M sodium acetate trihydrate |