2JKP
Structure of a family 97 alpha-glucosidase from Bacteroides thetaiotaomicron in complex with castanospermine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-04-23 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.566, 111.988, 104.134 |
Unit cell angles | 90.00, 100.89, 90.00 |
Refinement procedure
Resolution | 102.060 - 1.990 |
R-factor | 0.176 |
Rwork | 0.173 |
R-free | 0.22700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2jka |
RMSD bond length | 0.015 |
RMSD bond angle | 1.501 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | REFMAC (5.4.0077) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.080 | 0.350 |
Number of reflections | 108971 | |
<I/σ(I)> | 13.3 | 2.2 |
Completeness [%] | 95.3 | 69.3 |
Redundancy | 3.5 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 18-22% POLYETHYLENE GLYCOL 3350 AND 0.02 M SODIUM/POTASSIUM PHOSPHATE |