8IOF
Crystal structure of N-methyl-Cis-4-hydroxy-D-proline dehydratase in Clostridium sp. FS41
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 | 2022-09-10 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 |
Unit cell lengths | 78.967, 103.603, 114.254 |
Unit cell angles | 83.13, 75.71, 79.84 |
Refinement procedure
Resolution | 39.427 - 2.330 |
R-factor | 0.1912 |
Rwork | 0.190 |
R-free | 0.26560 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.957 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.14_3247: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.490 | 2.390 |
High resolution limit [Å] | 2.330 | 2.330 |
Rmerge | 1.261 | |
Rmeas | 0.990 | |
Rpim | 0.896 | |
Number of reflections | 144785 | 10653 |
<I/σ(I)> | 2.8 | |
Completeness [%] | 98.4 | |
Redundancy | 3.3 | 2.9 |
CC(1/2) | 0.750 | 0.246 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.2 M sodium acetate, 0.1 M Bis-Tris propane, pH 6.5, 16% (w/v) PEG3350, 100 mM cis-N-Methyl-4-hydroxy-D-proline |