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 |
