7VB3
Crystal structure of hydroxynitrile lyase from Linum usitatissimum
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, 52.180, 168.510 |
| Unit cell angles | 90.00, 95.01, 90.00 |
Refinement procedure
| Resolution | 84.070 - 1.480 |
| R-factor | 0.1574 |
| Rwork | 0.156 |
| R-free | 0.18300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1d1t |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.808 |
| 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] | 167.866 | 85.082 | 1.560 |
| High resolution limit [Å] | 1.480 | 4.690 | 1.482 |
| Rmerge | 0.046 | 0.661 | |
| Rmeas | 0.101 | 0.050 | 0.720 |
| Rpim | 0.040 | 0.020 | 0.284 |
| Number of reflections | 269690 | 8925 | 38964 |
| <I/σ(I)> | 10.5 | 11.6 | 1.1 |
| Completeness [%] | 99.6 | 99.9 | 99.2 |
| Redundancy | 6.1 | 6.2 | 6.2 |
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 mono methyl ether 5000 |
