4N45
Crystal structure of reduced 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 | 2008-11-05 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.23985 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 203.684, 54.144, 73.197 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.600 |
R-factor | 0.197 |
Rwork | 0.195 |
R-free | 0.23410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4n44 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.834 |
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 | 1.640 |
High resolution limit [Å] | 1.590 | 4.740 | 1.590 |
Rmerge | 0.095 | 0.045 | 0.297 |
Number of reflections | 108716 | ||
<I/σ(I)> | 19.9 | 36.3 | 3.1 |
Completeness [%] | 91.5 | 85 | 78.8 |
Redundancy | 3.9 | 5.9 | 2.7 |
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 |