8ZU4
Crystal Structure of Methyl parathion hydrolase mutant A127L/I145L/Q272D/S279A/S304P
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-09 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 127.233, 86.320, 58.800 |
| Unit cell angles | 90.00, 112.81, 90.00 |
Refinement procedure
| Resolution | 19.730 - 1.390 |
| R-factor | 0.1675 |
| Rwork | 0.167 |
| R-free | 0.19790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond angle | 0.823 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.730 | 4.080 | 1.470 |
| High resolution limit [Å] | 1.390 | 2.920 | 1.390 |
| Rmerge | 0.023 | 0.019 | 0.674 |
| Rmeas | 0.033 | 0.026 | 0.953 |
| Number of reflections | 159152 | 4230 | 627 |
| <I/σ(I)> | 8.13 | ||
| Completeness [%] | 74.5 | ||
| Redundancy | 5.81 | ||
| CC(1/2) | 0.999 | 0.998 | 0.370 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.1 M Bis-Tris pH 6.5, 28% w/v Polyethylene glycol monomethyl ether 2,000 |
