2WKT
BIOSYNTHETIC THIOLASE FROM Z. RAMIGERA. COMPLEX OF THE N316A 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 QUANTUM 210 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.600, 79.200, 148.700 |
| Unit cell angles | 90.00, 92.80, 90.00 |
Refinement procedure
| Resolution | 19.626 - 2.000 |
| R-factor | 0.1891 |
| Rwork | 0.187 |
| R-free | 0.23560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dlu |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.185 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.200 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.160 | 0.490 |
| Number of reflections | 132297 | |
| <I/σ(I)> | 9.7 | 4.1 |
| Completeness [%] | 99.2 | 98.1 |
| Redundancy | 4 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 1.9 M (NH4)2SO4, 0.1 M SODIUM CITRATE (PH 6.5), 1 MM EDTA, 1 MM NAN3, 1 MM DTT. |
