1X38
crystal structure of barley beta-D-glucan glucohydrolase isoenzyme exo1 in complex with gluco-phenylimidazole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-ID-B |
Synchrotron site | APS |
Beamline | 14-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-03-29 |
Detector | MARRESEARCH |
Wavelength(s) | 1.127 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 100.558, 100.558, 182.414 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.300 - 1.698 |
R-factor | 0.1599 |
Rwork | 0.160 |
R-free | 0.18301 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lq2 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.326 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CCP4 |
Refinement software | REFMAC (5.2.0011) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.300 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.054 | 0.631 |
Number of reflections | 98154 | |
<I/σ(I)> | 42.3 | 3.4 |
Completeness [%] | 99.8 | 98.6 |
Redundancy | 12.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | AMMONIUM SULPHATE, PEG 400, SODIUM ACETATE, HEPES-NAOH, pH 7.00, VAPOR DIFFUSION, HANGING DROP, temperature 277K |