5XXL
Crystal structure of GH3 beta-glucosidase from Bacteroides thetaiotaomicron
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-11-09 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 81.940, 167.880, 224.090 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.940 - 1.600 |
R-factor | 0.20538 |
Rwork | 0.204 |
R-free | 0.22738 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3u4a |
RMSD bond length | 0.008 |
RMSD bond angle | 1.440 |
Data reduction software | iMOSFLM |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.940 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.136 | |
Number of reflections | 202194 | |
<I/σ(I)> | 10 | |
Completeness [%] | 99.9 | |
Redundancy | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | PEG 3350 Sodium acetate |