8WHG
imine reductase mutant - M3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2023-09-15 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.979183 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 335.102, 96.071, 103.790 |
| Unit cell angles | 90.00, 100.48, 90.00 |
Refinement procedure
| Resolution | 102.060 - 2.710 |
| R-factor | 0.2308 |
| Rwork | 0.230 |
| R-free | 0.27090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond angle | 6.581 |
| Data reduction software | XDS (V2023) |
| Data scaling software | XDS (V2023) |
| Phasing software | PHASER (2.7.0) |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 102.080 | 2.780 |
| High resolution limit [Å] | 2.710 | 2.710 |
| Rmerge | 0.140 | 0.665 |
| Rmeas | 0.152 | 0.741 |
| Rpim | 0.060 | 0.320 |
| Total number of observations | 558118 | 32908 |
| Number of reflections | 87190 | 6360 |
| <I/σ(I)> | 7.2 | 2.2 |
| Completeness [%] | 98.9 | |
| Redundancy | 6.4 | 5.2 |
| CC(1/2) | 0.985 | 0.674 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | PEG3350,sodium chloride, Bis-Tris |
