2VJX
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 | 91.366, 114.396, 99.677 |
Unit cell angles | 90.00, 113.17, 90.00 |
Refinement procedure
Resolution | 71.800 - 1.850 |
R-factor | 0.162 |
Rwork | 0.160 |
R-free | 0.20100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2je8 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.516 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.4.0062) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 83.920 | 1.900 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.090 | 0.240 |
Number of reflections | 160278 | |
<I/σ(I)> | 12.1 | 4.8 |
Completeness [%] | 98.8 | 97.9 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 14% PEG 3350, 0.2M NABR, 0.1M MES PH 6.5 |