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 |
