5GXY
Crystal structure of endoglucanase CelQ from Clostridium thermocellum complexed with cellobiose and Tris
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 | 2010-10-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97622 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 108.216, 108.822, 139.816 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.740 - 1.700 |
R-factor | 0.16104 |
Rwork | 0.160 |
R-free | 0.18664 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ga2 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.406 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.070 | 0.589 |
Number of reflections | 177949 | |
<I/σ(I)> | 30.4 | 4 |
Completeness [%] | 98.6 | 97.6 |
Redundancy | 6.1 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | 9-12%(w/v) PEG3350, 15-20%(v/v) PEG550MME, 30mM NaBr, 30mM NaF and 30mM NaI, 0.1M Tris |