2VOT
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 | 91.315, 115.289, 99.400 |
| Unit cell angles | 90.00, 113.14, 90.00 |
Refinement procedure
| Resolution | 20.030 - 1.950 |
| R-factor | 0.168 |
| Rwork | 0.166 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2je8 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.765 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.4.0065) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.070 | 0.240 |
| Number of reflections | 137224 | |
| <I/σ(I)> | 14.8 | 4.7 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 14% PEG 3350, 0.2M NABR, 0.1M MES BUFFER PH 6.4 |
