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) |