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 |
