8S7Z
Urethanase umg-sp1 without inhibitor or substrate displays flexible active site loops
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-09-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 |
| Unit cell lengths | 68.175, 76.792, 95.068 |
| Unit cell angles | 89.99, 112.65, 113.64 |
Refinement procedure
| Resolution | 44.538 - 2.670 |
| Rwork | 0.260 |
| R-free | 0.32270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.865 |
| Data reduction software | XDS (20230630) |
| Data scaling software | XDS (20230630) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.850 |
| High resolution limit [Å] | 2.670 | 2.670 |
| Number of reflections | 44551 | 8100 |
| <I/σ(I)> | 6.1 | 1.3 |
| Completeness [%] | 97.5 | 97.5 |
| Redundancy | 8.9 | 9.3 |
| CC(1/2) | 0.990 | 0.530 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 30% (v/v) isopropanol, 0.2 M ammonium acetate, 0.1 M Tris pH 8.5 Cryo: 10% glycerol added |
