8JNQ
Crystal structure of cytochrome P450 CftA from Streptomyces torulosus NRRL B-3889, in complex with a substrate compound c
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-06-21 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.730, 68.436, 108.262 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.470 - 2.000 |
R-factor | 0.19 |
Rwork | 0.188 |
R-free | 0.23090 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.930 |
Data reduction software | CrysalisPro (171.39.7e) |
Data scaling software | Aimless (CCP4Interface 7.1.015) |
Phasing software | MOLREP (CCP4Interface 7.1.015) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.470 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.083 | 0.812 |
Rmeas | 0.089 | 0.916 |
Rpim | 0.030 | 0.417 |
Total number of observations | 270689 | 11546 |
Number of reflections | 33699 | 2444 |
<I/σ(I)> | 16.6 | 1.8 |
Completeness [%] | 99.9 | |
Redundancy | 8 | 4.7 |
CC(1/2) | 0.998 | 0.689 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 289 | 0.2M Lithium chloride, 0.1M MES pH 6.0, 20% w/v PEG 6000 |