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 |
