7EUQ
Crystal structure of C86H-Y124N-G126H-H196S mutant of N(omega)-hydroxy-L-arginine hydrolase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-10-20 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9000 |
Spacegroup name | P 1 |
Unit cell lengths | 42.491, 49.755, 60.515 |
Unit cell angles | 89.97, 72.20, 89.91 |
Refinement procedure
Resolution | 39.260 - 1.800 |
R-factor | 0.1828 |
Rwork | 0.181 |
R-free | 0.21050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7eul |
RMSD bond length | 0.009 |
RMSD bond angle | 1.520 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.460 | 40.460 | 1.840 |
High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
Rmerge | 0.096 | 0.053 | 0.664 |
Rmeas | 0.114 | 0.062 | 0.799 |
Rpim | 0.061 | 0.032 | 0.440 |
Total number of observations | 137451 | 1181 | 7765 |
Number of reflections | 42444 | 336 | 2543 |
<I/σ(I)> | 6.6 | 11.9 | 2.3 |
Completeness [%] | 96.9 | 96.6 | 96.1 |
Redundancy | 3.2 | 3.5 | 3.1 |
CC(1/2) | 0.993 | 0.995 | 0.825 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 298 | PEG 4000, MgCl2 |