7VB5
Crystal structure of hydroxynitrile lyase from Linum usitatissimum complexed with acetone cyanohydrin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 94.120, 51.570, 170.000 |
| Unit cell angles | 90.00, 94.67, 90.00 |
Refinement procedure
| Resolution | 93.980 - 1.580 |
| R-factor | 0.1722 |
| Rwork | 0.171 |
| R-free | 0.20460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7vb3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.593 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.22) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 169.436 | 93.808 | 1.670 |
| High resolution limit [Å] | 1.580 | 5.000 | 1.580 |
| Rmerge | 0.053 | 1.323 | |
| Rmeas | 0.133 | 0.057 | 1.443 |
| Rpim | 0.053 | 0.022 | 0.568 |
| Total number of observations | 1381304 | 46005 | 203937 |
| Number of reflections | 223351 | 7415 | 32471 |
| <I/σ(I)> | 8.9 | 26.8 | 1.3 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 6.2 | 6.2 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | 0.1 M BIS-TRIS, pH 6.5, 20% w/v polyethylene glycol monomethyl ether 5000 |
