2X42
Structure of beta-glucosidase 3B from Thermotoga neapolitana in complex with alpha-D-glucose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-2 |
Synchrotron site | MAX II |
Beamline | I911-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-09-24 |
Detector | MARRESEARCH SX-165 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 74.550, 128.160, 175.650 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.275 - 2.099 |
R-factor | 0.1737 |
Rwork | 0.172 |
R-free | 0.21350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2x40 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.883 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.200 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.070 | 0.560 |
Number of reflections | 47706 | |
<I/σ(I)> | 15.4 | 2.2 |
Completeness [%] | 96.5 | 78.3 |
Redundancy | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.4 | 293 | 3-5 MG/ML PROTEIN, 16-18 % (V/V) PEG 3350, 0.2 M NABR, 90 MM BIS-TRIS PROPANE PH 7.4, 20C |