3NDZ
The structure of the catalytic and carbohydrate binding domain of endoglucanase D from Clostridium cellulovorans bound to cellotriose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-24 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 85.297, 119.050, 198.487 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.697 - 2.080 |
| R-factor | 0.146 |
| Rwork | 0.144 |
| R-free | 0.19300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.109 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.5_2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.130 |
| High resolution limit [Å] | 2.080 | 5.130 | 2.080 |
| Rmerge | 0.091 | 0.035 | 0.373 |
| Number of reflections | 113880 | ||
| <I/σ(I)> | 8.5 | ||
| Completeness [%] | 93.3 | 99.3 | 83 |
| Redundancy | 4.1 | 4.8 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277 | 27% Polyethylene glycol 3350, and 0.1 M BisTris pH 5.5. Cryoprotected with 29% Polyethylene glycol 3350, 5% ethylene glycol, 300mM cellotriose, 0.1 M BisTris pH 5.5, vapor diffusion, hanging drop, temperature 277K, VAPOR DIFFUSION, HANGING DROP |
