7V8S
Crystal structure of cyclohexanone monooxygenase from T. municipale mutant L437T complexed with NADP+ and FAD in space group of P1211
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) | 0.97925 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.122, 164.034, 62.052 |
Unit cell angles | 90.00, 115.88, 90.00 |
Refinement procedure
Resolution | 27.790 - 2.080 |
R-factor | 0.1744 |
Rwork | 0.172 |
R-free | 0.21830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5m10 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.326 |
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 | 2.140 |
High resolution limit [Å] | 2.080 | 5.700 | 2.100 |
Rmerge | 0.104 | 0.059 | 0.355 |
Rmeas | 0.125 | 0.070 | 0.426 |
Rpim | 0.068 | 0.038 | 0.233 |
Number of reflections | 64544 | 3249 | 3300 |
<I/σ(I)> | 4.5 | ||
Completeness [%] | 99.2 | 98.1 | 99.8 |
Redundancy | 3.2 | 3.2 | 3.2 |
CC(1/2) | 0.994 | 0.843 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 298 | PEG 4000 |