7V8O
Crystal structure of cyclohexanone monooxygenase from T. municipale mutant L437T complexed with NADP+ and FAD in space group of P21221
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17B1 |
Synchrotron site | SSRF |
Beamline | BL17B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-05-29 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 68.301, 112.522, 156.405 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.150 - 2.720 |
R-factor | 0.2228 |
Rwork | 0.220 |
R-free | 0.28070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5m10 |
RMSD bond length | 0.004 |
RMSD bond angle | 1.310 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP (11.7.03) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.800 |
High resolution limit [Å] | 2.720 | 7.460 | 2.750 |
Rmerge | 0.143 | 0.069 | 0.486 |
Rmeas | 0.149 | 0.072 | 0.506 |
Rpim | 0.041 | 0.020 | 0.139 |
Number of reflections | 32723 | 1805 | 1579 |
<I/σ(I)> | 4.3 | ||
Completeness [%] | 99.6 | 100 | 98.8 |
Redundancy | 12.6 | 13 | 12.7 |
CC(1/2) | 0.998 | 0.975 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 298 | PEG 4000 |