5B08
Polyketide cyclase OAC from Cannabis sativa
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 | 2013-11-13 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 47.370, 47.370, 175.900 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.951 - 1.325 |
R-factor | 0.1982 |
Rwork | 0.197 |
R-free | 0.21550 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.027 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (PHENIX (1.10_2152: 000)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.490 | 1.400 |
High resolution limit [Å] | 1.320 | 1.400 | 1.320 |
Rmerge | 0.051 | 0.389 | 0.170 |
Number of reflections | 54535 | ||
<I/σ(I)> | 30.3 | 3.84 | 12.2 |
Completeness [%] | 98.7 | 98 | 93.5 |
Redundancy | 9.8 | 5.4 | 9.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.8 | 278 | 100mM Tris - HCl, pH 8.8, 25%(w/v) PEG6000, 100mM Sodium malonate |
1 | VAPOR DIFFUSION, SITTING DROP | 8.8 | 278 | 100mM Tris - HCl, pH 8.8, 25%(w/v) PEG6000, 100mM Sodium malonate |