3VIP
Crystal structure of beta-glucosidase from termite Neotermes koshunensis in complex with a new glucopyranosidic product
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97622 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.785, 68.500, 75.075 |
| Unit cell angles | 90.00, 95.38, 90.00 |
Refinement procedure
| Resolution | 22.900 - 1.280 |
| R-factor | 0.12162 |
| Rwork | 0.120 |
| R-free | 0.14383 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ahz |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.399 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.330 |
| High resolution limit [Å] | 1.280 | 1.280 |
| Rmerge | 0.036 | 0.197 |
| Number of reflections | 119961 | |
| <I/σ(I)> | 39.3 | 8.3 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1M Bis-Tris, 18-21% (w/v) PEG 3350, 0.1-0.25M MgCl2, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
