7X2Q
Salvia miltiorrhiza CYP76AH3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NFPSS BEAMLINE BL18U |
| Synchrotron site | NFPSS |
| Beamline | BL18U |
| Temperature [K] | 193.1 |
| Detector technology | CCD |
| Collection date | 2020-05-16 |
| Detector | Brandeis B4 |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 151.100, 151.100, 156.910 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.230 - 3.680 |
| R-factor | 0.2538 |
| Rwork | 0.251 |
| R-free | 0.29630 |
| Structure solution method | MAD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.633 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.230 | 4.040 |
| High resolution limit [Å] | 3.670 | 3.670 |
| Rpim | 0.064 | |
| Number of reflections | 11668 | 11620 |
| <I/σ(I)> | 16.5 | |
| Completeness [%] | 96.8 | |
| Redundancy | 35.5 | |
| CC(1/2) | 0.741 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 289.1 | 1600mmol/L sodium citrate tribasic |
