5GY1
Crystal structure of endoglucanase CelQ from Clostridium thermocellum complexed with cellotriose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-03-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 106.546, 108.623, 137.716 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.940 - 1.990 |
R-factor | 0.15625 |
Rwork | 0.155 |
R-free | 0.18420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ga2 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.377 |
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 | 2.060 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmerge | 0.136 | 0.576 |
Number of reflections | 108829 | |
<I/σ(I)> | 13.9 | 2.5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.3 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | 9-12%(w/v) PEG 3350, 15-20%(v/v) PEG 550MME, 30mM NaBr, 30mM NaF and 30mM NaI, 0.1M Tris |