5B0A
Polyketide cyclase OAC from Cannabis sativa, H5Q mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2015-09-17 |
Detector | RIGAKU RAXIS VII |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 36.800, 30.490, 81.530 |
Unit cell angles | 90.00, 95.49, 90.00 |
Refinement procedure
Resolution | 34.654 - 2.100 |
R-factor | 0.2247 |
Rwork | 0.222 |
R-free | 0.27390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5b08 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.123 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER (2.6.0) |
Refinement software | PHENIX (1.10_2152) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.220 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.024 | 0.099 |
Number of reflections | 10898 | |
<I/σ(I)> | 31.9 | 13 |
Completeness [%] | 95.8 | 91.2 |
Redundancy | 3.5 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 278 | 100mM Sodium acetate, 25%(w/v) PEG4000, 8%(v/v) isopropanol |