3WLK
Crystal structure of barley beta-D-glucan glucohydrolase isoenzyme EXO1 in complex with 4-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 | 2005-11-12 |
Detector | MARRESEARCH |
Wavelength(s) | 1.12714 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 100.564, 100.564, 181.758 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 88.050 - 1.800 |
R-factor | 0.15137 |
Rwork | 0.150 |
R-free | 0.17420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ieq |
RMSD bond length | 0.013 |
RMSD bond angle | 1.327 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 88.050 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.990 | |
Number of reflections | 88188 | |
<I/σ(I)> | 1.3 | |
Completeness [%] | 99.5 | 99 |
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 , VAPOR DIFFUSION, HANGING DROP, temperature 277K |