8JG2
Crystal structure of a biosynthetic thiolase from Megasphaera hexanoica soaked with hexanoyl-CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-05-03 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97935 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 51.505, 111.443, 140.996 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.990 - 1.640 |
R-factor | 0.2001 |
Rwork | 0.198 |
R-free | 0.23558 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.549 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.990 | 1.699 |
High resolution limit [Å] | 1.640 | 1.640 |
Rmerge | 0.024 | 0.277 |
Rmeas | 0.034 | 0.392 |
Rpim | 0.024 | 0.277 |
Number of reflections | 99877 | 9827 |
<I/σ(I)> | 12.08 | 2.11 |
Completeness [%] | 99.6 | 99.22 |
Redundancy | 2 | 2 |
CC(1/2) | 0.999 | 0.853 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295.15 | 25 % w/v polyethylene glycol (PEG) 3350 and 0.1M HEPES pH 7.5 |