3WLJ
Crystal structure of barley beta-D-glucan glucohydrolase isoenzyme EXO1 in complex with 3-deoxy-glucose
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 | 2005-11-20 |
Detector | MARRESEARCH |
Wavelength(s) | 1.12714 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 100.816, 100.816, 181.646 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.180 - 1.670 |
R-factor | 0.16009 |
Rwork | 0.159 |
R-free | 0.18478 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1x39 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.408 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CCP4 |
Refinement software | REFMAC (5.3.0040) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.180 | 1.720 |
High resolution limit [Å] | 1.670 | 1.670 |
Rmerge | 0.052 | 0.619 |
Number of reflections | 101919 | |
<I/σ(I)> | 57.8 | 1.11 |
Completeness [%] | 99.0 | 94.7 |
Redundancy | 13.3 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 75mM HEPES-NaOH pH7.0 buffer, 1.2% PEG 400, 1.7M ammonium sulphate , pH 7.00, VAPOR DIFFUSION, HANGING DROP, temperature 277K |