5XZT
C-terminal peptide depleted mutant of 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 | 2015-11-19 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.10 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 85.494, 87.830, 104.578 |
Unit cell angles | 90.00, 105.23, 90.00 |
Refinement procedure
Resolution | 100.910 - 1.800 |
R-factor | 0.1738 |
Rwork | 0.172 |
R-free | 0.19871 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xzq |
RMSD bond length | 0.008 |
RMSD bond angle | 1.305 |
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] | 100.910 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.058 | 0.394 |
Rmeas | 0.027 | 0.182 |
Rpim | 0.027 | 0.182 |
Number of reflections | 135702 | 19519 |
<I/σ(I)> | 18.3 | 4.7 |
Completeness [%] | 98.4 | 97.3 |
Redundancy | 5.3 | 5.5 |
CC(1/2) | 0.999 | 0.911 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 21% (w/v) PEG3350 2.1% (w/v) 1,6-hexanediol 150 mM NaCl 50 mM HEPES-NaOH, pH 7.0 |