7CB9
CYP76AH1/miltiradiene from Salvia miltiorrhiza
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2018-01-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97852 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 108.500, 108.500, 105.685 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.850 - 1.900 |
| Rwork | 0.220 |
| R-free | 0.22870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ym3 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
| Rmerge | 0.096 | 0.058 | 0.569 |
| Rmeas | 0.098 | 0.060 | 0.584 |
| Rpim | 0.022 | 0.014 | 0.129 |
| Number of reflections | 109634 | 3035 | 2805 |
| <I/σ(I)> | 5.9 | ||
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 19.9 | 18.7 | 20.3 |
| CC(1/2) | 0.998 | 0.956 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 289 | 50mM HEPES, pH7.5, 10% v/v Jeffamine M-600 Reagent, 50mM MnCl2, 25 % (v/v) glycerol |
