8GTL
Crystal Structure of Cytochrome P450 (CYP101D5)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-09-15 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.524, 109.573, 113.878 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.790 - 3.200 |
R-factor | 0.268 |
Rwork | 0.262 |
R-free | 0.31900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nv5 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.548 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.790 | 3.310 |
High resolution limit [Å] | 3.200 | 3.200 |
Number of reflections | 14555 | 1195 |
<I/σ(I)> | 10.1 | |
Completeness [%] | 99.4 | |
Redundancy | 4.6 | |
CC(1/2) | 1.000 | 0.529 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 293 | 1.6 M ammonium phosphate monobasic |