7N3L
Co-complex CYP46A1 with 0420 (compound 6)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-05-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.494, 63.679, 124.637 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.436 - 1.631 |
Rwork | 0.167 |
R-free | 0.20040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7lrl |
RMSD bond length | 0.013 |
RMSD bond angle | 1.816 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.000 | 1.660 |
High resolution limit [Å] | 1.630 | 1.630 |
Rmerge | 0.104 | 0.980 |
Number of reflections | 58262 | 5648 |
<I/σ(I)> | 18.2 | 2.2 |
Completeness [%] | 99.2 | 99 |
Redundancy | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 290 | 17.5% PEG 3350, 0.4M Calcium chloride |