5J7X
Baeyer-Villiger monooxygenase BVMOAFL838 from Aspergillus flavus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2015-03-08 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9174 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 109.670, 177.510, 76.370 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.400 - 1.900 |
R-factor | 0.1594 |
Rwork | 0.157 |
R-free | 0.20450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1w4x |
RMSD bond length | 0.031 |
RMSD bond angle | 2.707 |
Data reduction software | MOSFLM (7.2.1) |
Data scaling software | SCALA (3.3.21) |
Phasing software | PHASER (2.5.5) |
Refinement software | REFMAC (5) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 32.400 | 32.419 | 2.000 |
High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
Rmerge | 0.081 | 0.028 | 0.669 |
Number of reflections | 58733 | ||
<I/σ(I)> | 15.3 | 22.4 | 1.1 |
Completeness [%] | 99.6 | 98 | 99.6 |
Redundancy | 6.2 | 6.3 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 9 | 289 | 0.1 M Tris-HCl pH 9, 1.8 M ammonium sulphate |