2VQT
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 |
| Detector technology | CCD |
| Collection date | 2007-03-17 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.234, 114.860, 99.308 |
| Unit cell angles | 90.00, 113.24, 90.00 |
Refinement procedure
| Resolution | 91.290 - 2.100 |
| R-factor | 0.172 |
| Rwork | 0.169 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2je8 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.777 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.4.0065) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 91.300 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.090 | 0.440 |
| Number of reflections | 109629 | |
| <I/σ(I)> | 12.5 | 3.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 14% PEG 3350, 0.2M NABR, 0.1M MES PH 6.5 |
