5XZQ
Hydroxynitrile lyase from Passiflora edulis (PeHNL)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-06-20 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.10 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 85.446, 88.567, 104.574 |
Unit cell angles | 90.00, 105.99, 90.00 |
Refinement procedure
Resolution | 100.530 - 2.800 |
R-factor | 0.21127 |
Rwork | 0.207 |
R-free | 0.27877 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1si9 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.581 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | MOLREP (11.2.08) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.530 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.044 | 0.197 |
Rpim | 0.021 | 0.089 |
Number of reflections | 196401 | 5327 |
<I/σ(I)> | 19.2 | 7.7 |
Completeness [%] | 99.3 | 99 |
Redundancy | 5.3 | 5.6 |
CC(1/2) | 0.999 | 0.986 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 20% (w/v) PEG6000 200 mM lithium acetate 100 mM Bis-Tris-HCl, pH 6.5 |