8W72
Crystal structure of a P450 enzyme DmlH that catalyze intramolecular phenol coupling in the biosynthesis of cihanmycins
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-05-21 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.979183 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.333, 100.440, 106.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.220 - 3.250 |
R-factor | 0.2072 |
Rwork | 0.203 |
R-free | 0.30280 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.338 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.490 | 3.430 |
High resolution limit [Å] | 3.250 | 3.250 |
Rmerge | 0.150 | 0.541 |
Rmeas | 0.162 | 0.605 |
Rpim | 0.058 | 0.260 |
Total number of observations | 45745 | 3695 |
Number of reflections | 6132 | 844 |
<I/σ(I)> | 9.5 | 2.3 |
Completeness [%] | 92.4 | |
Redundancy | 7.5 | 4.4 |
CC(1/2) | 0.994 | 0.805 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.3 M CaCl2, 0.3 M MgCl2, 0.5 M MES, 0.5 M imidazole, 37.5% w/v PEG 1K_PEG 3350_MPD, pH 6.5 |