2WL5
BIOSYNTHETIC THIOLASE FROM Z. RAMIGERA. COMPLEX OF THE H348N 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 | 2008-06-27 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 84.700, 79.200, 153.000 |
Unit cell angles | 90.00, 92.50, 90.00 |
Refinement procedure
Resolution | 19.388 - 1.800 |
R-factor | 0.2227 |
Rwork | 0.221 |
R-free | 0.25660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dlu |
RMSD bond length | 0.009 |
RMSD bond angle | 1.135 |
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 | 1.950 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.120 | 0.470 |
Number of reflections | 184515 | |
<I/σ(I)> | 9.1 | 3.2 |
Completeness [%] | 98.6 | 99.5 |
Redundancy | 3.9 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 0.75 M LI2SO4, 1.7 M (NH4)2SO4, 0.1 M SODIUM CITRATE (PH 5.5), 1 MM EDTA, 1 MM NAN3 AND 1 MM DTT |