2VQU
Structural and biochemical evidence for a boat-like transition state in beta-mannosidases
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 120 |
| Collection date | 2007-09-20 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.100, 115.100, 99.500 |
| Unit cell angles | 90.00, 113.40, 90.00 |
Refinement procedure
| Resolution | 91.290 - 1.900 |
| R-factor | 0.179 |
| Rwork | 0.177 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2je8 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.575 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.4.0065) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.090 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.110 | 0.430 |
| Number of reflections | 150972 | |
| <I/σ(I)> | 12 | 2.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.6 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 14% PEG 3350, 0.2M NABR, 0.1M MES PH 6.5 |
