2X40
Structure of beta-glucosidase 3B from Thermotoga neapolitana in complex with glycerol
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-09-21 |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 74.946, 127.246, 175.209 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.453 - 2.313 |
| R-factor | 0.1766 |
| Rwork | 0.174 |
| R-free | 0.23260 |
| Structure solution method | MAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.862 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CCP4 |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.500 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.080 | 0.520 |
| Number of reflections | 37161 | |
| <I/σ(I)> | 13.2 | 2.3 |
| Completeness [%] | 98.8 | 93.4 |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | PROTEIN 3-5 MG/ML, 16% PEG 3350, 0.1 M KBR, 90 MM BIS-TRIS PROPANE PH 7.4 |
