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 |
