4PVI
Crystal structure of GH62 hydrolase in complex with xylotriose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9794 |
Spacegroup name | P 31 |
Unit cell lengths | 72.445, 72.445, 62.099 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 23.713 - 1.480 |
R-factor | 0.1302 |
Rwork | 0.129 |
R-free | 0.15880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pva |
RMSD bond length | 0.011 |
RMSD bond angle | 1.507 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.713 | 1.510 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.025 | |
<I/σ(I)> | 22 | |
Completeness [%] | 96.5 | 96.4 |
Redundancy | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 289 | 0.2M KH2PO4, 20% PEG3350, 2 mM CaCl2, 20 mM xylotriose , pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 289K |