2WL4
BIOSYNTHETIC THIOLASE FROM Z. RAMIGERA. COMPLEX OF THE H348A MUTANT WITH COENZYME A.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-26 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.310, 79.140, 149.410 |
| Unit cell angles | 90.00, 92.68, 90.00 |
Refinement procedure
| Resolution | 19.613 - 1.800 |
| R-factor | 0.2327 |
| Rwork | 0.231 |
| R-free | 0.27020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dlu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.132 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.950 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.100 | 0.470 |
| Number of reflections | 181049 | |
| <I/σ(I)> | 10.5 | 3.2 |
| Completeness [%] | 99.6 | 99.5 |
| Redundancy | 4 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 0.95 M LI2SO4, 1.2 M (NH4)2SO4, 0.1 M SODIUM CITRATE (PH 5.5), 1 MM EDTA, 1 MM NAN3 AND 1 MM DTT |
