4MDP
Crystal structure of a GH1 beta-glucosidase from the fungus Humicola insolens in complex with glucose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.459 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 113.567, 113.567, 178.740 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.720 - 2.050 |
| R-factor | 0.1652 |
| Rwork | 0.163 |
| R-free | 0.21370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.662 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 4.410 | 2.050 |
| Rmerge | 0.103 | 0.038 | 0.433 |
| Number of reflections | 42355 | ||
| <I/σ(I)> | 7.7 | ||
| Completeness [%] | 97.5 | 92.7 | 99.1 |
| Redundancy | 7.1 | 7.5 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 291 | 10% PEG 3,000, 0.1 M Sodium acetate and 0.2 M Zinc acetate, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
