4LHT
Crystal Structure of P450cin Y81F mutant, crystallized in 3 mM 1,8-cineole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 70 |
Detector technology | CCD |
Collection date | 2012-10-02 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.460, 103.709, 127.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.884 - 2.137 |
R-factor | 0.2122 |
Rwork | 0.209 |
R-free | 0.26300 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4l6g |
RMSD bond length | 0.012 |
RMSD bond angle | 1.342 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | FFT |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | |
High resolution limit [Å] | 2.137 | 2.137 |
Number of reflections | 50211 | |
<I/σ(I)> | 19.7 | 4.22 |
Completeness [%] | 95.5 | 95.5 |
Redundancy | 4.3 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 298 | 12-15% PEG3350, 100 mM Bis-Tris, pH 6.2, 150 mM lithium sulfate, 3 mM 1,8-cineole, 3 mM TCEP, 100 mM sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 298K |