6C6P
Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and NB-598
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-04-07 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97915 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 127.864, 127.864, 165.088 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.570 - 2.500 |
R-factor | 0.195 |
Rwork | 0.193 |
R-free | 0.23420 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.513 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 110.730 | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
Rmerge | 0.086 | 0.055 | 0.541 |
Rmeas | 0.096 | 0.062 | 0.598 |
Rpim | 0.039 | 0.026 | 0.243 |
Number of reflections | 48368 | 2364 | 2397 |
<I/σ(I)> | 10 | ||
Completeness [%] | 88.5 | 80.5 | 88 |
Redundancy | 4.8 | 4.7 | 4.7 |
CC(1/2) | 0.994 | 0.802 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.2 M Ammonium sulfate, 0.1 M tri-Sodium citrate pH 5.6, 15 %(w/v) PEG 4000, 0.02 M Hexammine cobalt(III) chloride |