2X41
Structure of beta-glucosidase 3B from Thermotoga neapolitana in complex with glucose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-09-24 |
| Detector | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 75.130, 128.460, 176.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.719 - 2.050 |
| R-factor | 0.1889 |
| Rwork | 0.187 |
| R-free | 0.22510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x40 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.776 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.700 | 2.100 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.060 | 0.670 |
| Number of reflections | 53087 | |
| <I/σ(I)> | 14.1 | 2 |
| Completeness [%] | 98.6 | 99.6 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.4 | 293 | 3-5 MG/ML PROTEIN, 16-18 % PEG 3350, 0.2 M NABR, 90 MM BIS-TRIS PROPANE PH 7.4, 20C |
