5B0G
Polyketide cyclase OAC from Cannabis sativa, H78S mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-12-12 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 85.000, 32.690, 36.620 |
Unit cell angles | 90.00, 108.25, 90.00 |
Refinement procedure
Resolution | 40.362 - 1.400 |
R-factor | 0.1779 |
Rwork | 0.177 |
R-free | 0.20050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5b08 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.162 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.10_2152) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.480 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.033 | 0.130 |
Number of reflections | 18918 | |
<I/σ(I)> | 25.3 | 9.1 |
Completeness [%] | 99.2 | 98.7 |
Redundancy | 3.6 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 278 | 100 mM MES pH 6.5, 30% (w/v) PEG4000 |