6HSP
Crystal structure of the zebrafish peroxisomal SCP2-thiolase (type-1) in complex with CoA and octanoyl-CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-05-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.2822 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 132.180, 81.320, 96.630 |
Unit cell angles | 90.00, 126.08, 90.00 |
Refinement procedure
Resolution | 42.880 - 1.730 |
R-factor | 0.19192 |
Rwork | 0.190 |
R-free | 0.22733 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6hrv |
RMSD bond length | 0.013 |
RMSD bond angle | 1.558 |
Data reduction software | XDS (November 3, 2014) |
Data scaling software | XDS (November 3, 2014) |
Phasing software | PHASER (2.5.7) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.880 | 1.830 |
High resolution limit [Å] | 1.730 | 1.730 |
Rpim | 0.060 | 0.380 |
Number of reflections | 85694 | 12971 |
<I/σ(I)> | 8.42 | |
Completeness [%] | 99.1 | 97.6 |
Redundancy | 3.2 | 2.6 |
CC(1/2) | 0.996 | 0.403 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 100 mM MOPS, pH 7.0, 10 % PEG6000, 20% glycerol |