6L8H
Crystal structure of CYP97C1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-05-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.749, 127.322, 143.671 |
| Unit cell angles | 90.00, 92.22, 90.00 |
Refinement procedure
| Resolution | 40.700 - 2.000 |
| R-factor | 0.175 |
| Rwork | 0.172 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4kf2 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 1.995 | 2.000 |
| Rmerge | 0.094 | 0.749 |
| Number of reflections | 148875 | 14803 |
| <I/σ(I)> | 13.6 | 2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | Ammonium citrate, PEG 3350, OTG |
