4OMG
Crystal structure of the bacterial diterpene cyclase COTB2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-06-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.060, 100.650, 108.730 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.833 - 1.640 |
R-factor | 0.1747 |
Rwork | 0.173 |
R-free | 0.19950 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.424 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHARP |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.640 |
Number of reflections | 79406 |
<I/σ(I)> | 17.5 |
Completeness [%] | 98.8 |
Redundancy | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 10 | 291 | 20% (v/v)PEG8000, 100 mM 3-(cyclohexylamino)-1-propanesulfonic acid (CAPS), pH 10.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |