9M1E
Crystal structure of the CPS-6 H148A/F122A versus cis-resveratrol complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 193 |
| Detector technology | CCD |
| Collection date | 2017-09-20 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 0.62 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.661, 45.856, 81.003 |
| Unit cell angles | 90.00, 102.81, 90.00 |
Refinement procedure
| Resolution | 29.900 - 2.990 |
| R-factor | 0.1839 |
| Rwork | 0.172 |
| R-free | 0.28450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5gkp |
| Data reduction software | HKL-2000 (V 706) |
| Data scaling software | HKL-2000 (V 706) |
| Phasing software | PHENIX (1.12-2829) |
| Refinement software | PHENIX (1.12-2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.930 | 3.110 |
| High resolution limit [Å] | 2.990 | 3.000 |
| Rmeas | 0.196 | 0.573 |
| Rpim | 0.102 | 0.313 |
| Number of reflections | 10238 | 286093 |
| <I/σ(I)> | 7.3 | 2.3 |
| Completeness [%] | 99.6 | 98 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 279 | 100 mM HEPES, 30% (w/v) PEG 1000 |
