7V8R
Crystal structure of cyclohexanone monooxygenase from T. municipale mutant L437T complexed with NADP+ and FAD in space group of C2221
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 | C 2 2 21 |
Unit cell lengths | 68.517, 113.787, 155.983 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.460 - 1.764 |
R-factor | 0.156 |
Rwork | 0.154 |
R-free | 0.18640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5m10 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.690 |
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 | 1.800 |
High resolution limit [Å] | 1.764 | 4.800 | 1.770 |
Rmerge | 0.127 | 0.060 | 0.491 |
Rmeas | 0.132 | 0.063 | 0.513 |
Rpim | 0.036 | 0.017 | 0.147 |
Number of reflections | 58633 | 3091 | 2886 |
<I/σ(I)> | 4.8 | ||
Completeness [%] | 97.4 | 96.1 | 96.9 |
Redundancy | 13.1 | 13.1 | 11.8 |
CC(1/2) | 0.998 | 0.958 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 298 | PEG 4000 |