4L6G
Crystal Structure of P450cin Y81F mutant, crystallized in 7 mM 1,8-cineole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 70 |
Detector technology | CCD |
Collection date | 2012-09-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.810, 103.770, 127.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.754 - 1.371 |
R-factor | 0.1693 |
Rwork | 0.167 |
R-free | 0.20660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t2b |
RMSD bond length | 0.008 |
RMSD bond angle | 1.277 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.754 | 1.450 |
High resolution limit [Å] | 1.370 | 1.370 |
Number of reflections | 185316 | |
<I/σ(I)> | 9.5 | 2 |
Completeness [%] | 97.4 | 94.9 |
Redundancy | 4.2 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.2 | 298 | 15% PEG3350, 100 mM Bis-Tris, pH 6.2, 150 mM lithium sulfate, 7 mM 1,8-cineole, 3 mM TCEP, 100 mM sodium chloride, VAPOR DIFFUSION, temperature 298K |