8Q9V
S-methylthiourocanate hydratase from Variovorax sp. RA8 in complex with NAD+ and imidazolone propionate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-02-24 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 32 1 2 |
Unit cell lengths | 96.511, 96.511, 147.585 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.200 - 2.200 |
R-factor | 0.1637 |
Rwork | 0.162 |
R-free | 0.20700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.730 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.200 | 2.279 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 80319 | 7880 |
<I/σ(I)> | 8.89 | 1.58 |
Completeness [%] | 100.0 | |
Redundancy | 1 | |
CC(1/2) | 0.996 | 0.628 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20 %w/v PEG 3350 0.2 M Na3 Cit 0.1 M BIS-TRIS prop 7.5 pH |