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 |
