4N44
Crystal structure of oxidized form of thiolase from Clostridium acetobutylicum
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 | 2008-10-17 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.23985 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 203.227, 53.987, 72.968 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.440 - 1.770 |
R-factor | 0.1702 |
Rwork | 0.168 |
R-free | 0.20850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dlv |
RMSD bond length | 0.020 |
RMSD bond angle | 1.909 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
High resolution limit [Å] | 1.770 | 3.810 | 1.770 |
Rmerge | 0.070 | 0.051 | 0.299 |
Number of reflections | 77934 | ||
<I/σ(I)> | 33.7 | 57.5 | 2.8 |
Completeness [%] | 98.1 | 99 | 87.9 |
Redundancy | 5.3 | 5.5 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 295 | PEG3350, K-citrate, NaCl, pH 4.2, vapor diffusion, hanging drop, temperature 295K |