8WV3
NUDIX hydrolase from Bacillus methanolicus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-01-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979183 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.828, 96.884, 103.987 |
| Unit cell angles | 90.00, 98.15, 90.00 |
Refinement procedure
| Resolution | 34.130 - 1.980 |
| R-factor | 0.2008 |
| Rwork | 0.199 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.983 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.790 | 2.080 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.089 | 0.833 |
| Rmeas | 0.098 | 0.913 |
| Rpim | 0.041 | 0.369 |
| Total number of observations | 594778 | 81436 |
| Number of reflections | 102810 | 13895 |
| <I/σ(I)> | 11.3 | 2.4 |
| Completeness [%] | 97.5 | |
| Redundancy | 5.8 | 5.9 |
| CC(1/2) | 0.996 | 0.698 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M MES monohydrate pH 5.2, 18% v/v Polyethylene glycol 400 |
