6BJ9
Crystal structure of Acat2 thiolase from Ascaris suum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.115864 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 71.574, 88.123, 142.265 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 74.915 - 1.530 |
R-factor | 0.139978006653 |
Rwork | 0.139 |
R-free | 0.15995 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ib8 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.290 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.000 | 1.585 |
High resolution limit [Å] | 1.530 | 1.530 |
Rmerge | 0.067 | 0.387 |
Number of reflections | 135412 | 12914 |
<I/σ(I)> | 11.5 | 2.49 |
Completeness [%] | 99.6 | 96.2 |
Redundancy | 4 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M tri-potassium citrate, 20% w/v PEG 3350 |