9TK1
Room temperature structure of urocanate reductase in complex with urocanate and sulfate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX IV BEAMLINE BioMAX |
| Synchrotron site | MAX IV |
| Beamline | BioMAX |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2023-12-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 126.293, 126.293, 66.868 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.010 - 1.600 |
| R-factor | 0.1102 |
| Rwork | 0.109 |
| R-free | 0.13920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.001 |
| Data reduction software | AutoProcess |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 109.370 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 80972 | 3946 |
| <I/σ(I)> | 15.3 | |
| Completeness [%] | 100.0 | |
| Redundancy | 10.3 | |
| CC(1/2) | 0.999 | 0.561 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 20% PEG 8000, 0.3 M (NH4)2SO4, 0.1 M HEPES pH 7.0 |
