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 |