3GWF
Open crystal structure of cyclohexanone monooxygenase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 93 |
Collection date | 2004-09-15 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.279, 66.958, 135.996 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.200 |
R-factor | 0.18767 |
Rwork | 0.182 |
R-free | 0.23666 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1w4x |
RMSD bond length | 0.011 |
RMSD bond angle | 1.325 |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.317 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 27243 | |
Completeness [%] | 99.3 | 96.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 0.2M magnesium acetate tetrahydrate, 0.1M sodium cacodylate pH 6.5 and 20% PEG 8000, VAPOR DIFFUSION |