1H4H
Oligosaccharide-binding to family 11 xylanases: both covalent intermediate and mutant-product complexes display 2,5B conformations at the active-centre
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 120 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.344, 78.895, 76.273 |
| Unit cell angles | 90.00, 91.93, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.18 * |
| Rwork | 0.184 |
| R-free | 0.24000 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qh6 |
| RMSD bond length | 0.018 * |
| RMSD bond angle | 0.043 * |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.051 | 0.157 |
| Number of reflections | 53623 | |
| <I/σ(I)> | 21.5 | 5 |
| Completeness [%] | 77.7 * | 23.9 |
| Redundancy | 4.6 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 | 289 * | DROP: 1UL PROTEIN (27 MG ML-1) PLUS 1UL RESERVOIR RESERVOIR: 100 MM MES PH 6.5, 0.8M K2HPO4.3H20/NAH2PO4, 10% MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | 0.8 (M) | ||
| 2 | 1 | reservoir | MPD | 10 (%(v/v)) | |
| 3 | 1 | reservoir | MES | 100 (mM) | pH6.5 |
| 4 | 1 | drop | protein | 27 (mg/ml) | in H2O |
