5GXZ
Crystal structure of endoglucanase CelQ from Clostridium thermocellum complexed with cellobiose and cellotriose
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 | 2010-10-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97622 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 108.045, 108.668, 139.625 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.340 - 2.050 |
| R-factor | 0.18459 |
| Rwork | 0.182 |
| R-free | 0.23381 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ga2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.401 |
| 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 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.156 | 0.581 |
| Number of reflections | 103578 | |
| <I/σ(I)> | 11.3 | 2.9 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 4 | 4.1 |
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 |
