3WLM
Crystal structure of barley beta-D-glucan glucohydrolase isoenzyme exo1 in complex with octyl-O-glucoside
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 101.019, 101.019, 180.798 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.260 - 1.900 |
| R-factor | 0.17115 |
| Rwork | 0.170 |
| R-free | 0.20133 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ieq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.266 |
| 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] | 42.260 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.990 | |
| Number of reflections | 70533 | |
| <I/σ(I)> | 1.05 | |
| Completeness [%] | 100.0 | 99.5 |
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 |
