8EUL
cytochrome P450terp (cyp108A1) mutant F188A bound to alpha-terpineol
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] | 77 |
Detector technology | CCD |
Collection date | 2022-06-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 67.810, 67.810, 456.684 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.930 - 2.240 |
R-factor | 0.2007 |
Rwork | 0.200 |
R-free | 0.22390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cpt |
RMSD bond length | 0.009 |
RMSD bond angle | 1.261 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.930 | 2.324 |
High resolution limit [Å] | 2.240 | 2.244 |
Rpim | 0.230 | 0.230 |
Number of reflections | 31395 | 3015 |
<I/σ(I)> | 10.53 | 3.42 |
Completeness [%] | 99.7 | |
Redundancy | 17.1 | |
CC(1/2) | 0.996 | 0.927 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.06 M magnesium chloride hexahyrate, 0.06 M calcium chloride dihydrate, 0.1 M sodium HEPES and MOPS (acid) pH 7.5, 20% v/v ethylene glycol, 10% v/v PEG 8000, saturating alpha-terpineol |