6GQI
Thermocrispum municipale cyclohexanone monooxygenase bound to hexanoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-09 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.069, 93.690, 159.639 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.400 - 2.000 |
R-factor | 0.14178 |
Rwork | 0.139 |
R-free | 0.19946 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5m10 |
RMSD bond length | 0.024 |
RMSD bond angle | 2.197 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.400 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.148 | 0.800 |
Number of reflections | 65972 | 4617 |
<I/σ(I)> | 6.7 | 1.7 |
Completeness [%] | 99.7 | 99.6 |
Redundancy | 4.2 | 4.2 |
CC(1/2) | 0.993 | 0.650 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 293 | 100 mM Tris-HCl, 30 % PEG 4000 |