2WL6
BIOSYNTHETIC THIOLASE FROM Z. RAMIGERA. THE N316H-H348N MUTANT.
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 | 2008-04-21 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 84.230, 79.870, 149.920 |
Unit cell angles | 90.00, 92.86, 90.00 |
Refinement procedure
Resolution | 37.420 - 2.980 |
R-factor | 0.235 |
Rwork | 0.232 |
R-free | 0.29059 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dlu |
RMSD bond length | 0.012 |
RMSD bond angle | 1.600 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.4.0077) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.900 | 3.140 |
High resolution limit [Å] | 2.980 | 2.980 |
Rmerge | 0.140 | 0.340 |
Number of reflections | 39685 | |
<I/σ(I)> | 6.8 | 2.3 |
Completeness [%] | 97.4 | 95.1 |
Redundancy | 7.4 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 0.167 M SODIUM CITRATE (PH 6.5), 1.58 M (NH4)2SO4, 1 MM EDTA, 1 MM NAN3 AND 1 MM DTT |