4WYR
Crystal structure of thiolase mutation (V77Q,N153Y,A286K) 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 | 2011-10-19 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.23985 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 116.434, 131.201, 54.120 |
| Unit cell angles | 90.00, 110.30, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.300 |
| R-factor | 0.1538 |
| Rwork | 0.151 |
| R-free | 0.21310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4n45 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.703 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.166 | 0.307 |
| Number of reflections | 34051 | |
| <I/σ(I)> | 34.3 | 10.4 |
| Completeness [%] | 99.5 | 99.5 |
| Redundancy | 3.9 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 295 | PEG 3350, K-citrate, NaCl |
