4UXA
Improved variant of (R)-selective manganese-dependent hydroxynitrile lyase from bacteria
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 287 |
| Detector technology | PIXEL |
| Collection date | 2014-03-10 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 122.806, 93.174, 146.671 |
| Unit cell angles | 90.00, 111.93, 90.00 |
Refinement procedure
| Resolution | 58.280 - 2.100 |
| R-factor | 0.1835 |
| Rwork | 0.181 |
| R-free | 0.23397 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bif |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.464 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.300 | 2.220 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.090 | 0.760 |
| Number of reflections | 178792 | |
| <I/σ(I)> | 12.2 | 1.92 |
| Completeness [%] | 99.5 | 98.1 |
| Redundancy | 4.3 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2 M SODIUM THIOCYANATE, 20% W/V PEG 3350 9-18 MG/ML PROTEIN CONCENTRATION (IN 20 MM TRIS/HCL PH 7.0, 200 MM NACL) |
