2XVL
crystal structure of alpha-xylosidase (GH31) from Cellvibrio japonicus in complex with Pentaerythritol propoxylate (5 4 PO OH)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-26 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 157.653, 157.653, 226.688 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 54.548 - 2.300 |
| R-factor | 0.147 |
| Rwork | 0.145 |
| R-free | 0.18530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2g3m |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.043 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | BALBES |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.500 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.170 | 0.470 |
| Number of reflections | 74143 | |
| <I/σ(I)> | 16.3 | 7.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.3 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 40 % PENTAERYTHRITOL PROPOXYLATE (5/4 PO/OH), 0.1 M BIS-TRIS (PH 7.0), 5 MM NI SO4 |
