4BIF
Biochemical and structural characterisation of a novel manganese- dependent hydroxynitrile lyase from bacteria
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-13 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 126.310, 254.780, 82.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.722 - 2.460 |
| R-factor | 0.1767 |
| Rwork | 0.174 |
| R-free | 0.23290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f4p |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.216 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | BALBES |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.720 | 2.520 |
| High resolution limit [Å] | 2.460 | 2.460 |
| Rmerge | 0.120 | 0.580 |
| Number of reflections | 48423 | |
| <I/σ(I)> | 11.3 | 3.6 |
| Completeness [%] | 99.3 | 99.8 |
| Redundancy | 7.3 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 10%(W/V) PEG 8000, 20%(V/V) ETHYLENE GLYCOL, 0.02 M EACH OF THE AMINO ACIDS DL-ALA, DL-LYS, DL-SER, L-GLU AND GLYCINE, 0.1 M MES IMIDAZOLE BUFFER PH 6.5 |
