4WYS
Crystal structure of thiolase from Escherichia coli
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 | 2009-11-19 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.23985 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 75.007, 85.151, 269.113 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.100 |
R-factor | 0.1716 |
Rwork | 0.169 |
R-free | 0.21790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dlv |
RMSD bond length | 0.016 |
RMSD bond angle | 1.789 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.080 | 0.306 |
Number of reflections | 102062 | |
<I/σ(I)> | 21.6 | 3.9 |
Completeness [%] | 99.6 | 99.7 |
Redundancy | 6.2 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 295 | PEG 400, Acetate, Calcium acetate |