2WKU
BIOSYNTHETIC THIOLASE FROM Z. RAMIGERA. THE N316H MUTANT.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-13 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.500, 79.500, 147.700 |
| Unit cell angles | 90.00, 91.50, 90.00 |
Refinement procedure
| Resolution | 19.990 - 2.300 |
| R-factor | 0.204 |
| Rwork | 0.201 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dlu |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.944 |
| 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 | 2.500 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.100 | 0.300 |
| Number of reflections | 86887 | |
| <I/σ(I)> | 11.1 | 4.7 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 3.7 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 0.95 M LI2SO4, 1.3 (NH4)2SO4, 0.1 M SODIUM CITRATE (PH 5.5), 1 MM EDTA, 1 MM NAN, 1 MM DTT |
