7BOW
Hydroxynitrile lyase from Parafonteria laminate
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 | 2018-05-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 68.236, 33.153, 72.067 |
Unit cell angles | 90.00, 106.23, 90.00 |
Refinement procedure
Resolution | 34.910 - 1.420 |
R-factor | 0.1535 |
Rwork | 0.152 |
R-free | 0.17790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jhc |
RMSD bond length | 0.006 |
RMSD bond angle | 1.404 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 69.196 | 34.883 | 1.500 |
High resolution limit [Å] | 1.420 | 4.490 | 1.420 |
Rmerge | 0.053 | 0.790 | |
Rmeas | 0.088 | 0.058 | 0.859 |
Rpim | 0.034 | 0.023 | 0.333 |
Total number of observations | 390845 | 12565 | 55634 |
Number of reflections | 59066 | 1982 | 8551 |
<I/σ(I)> | 12 | 28.9 | 2.2 |
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 6.6 | 6.3 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293.15 | potassium thiocyanate, sodium acetate PEG 8000, PEG 1000 |