2CN2
Crystal Structures of Clostridium thermocellum Xyloglucanase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2004-12-20 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 100.437, 97.941, 199.122 |
| Unit cell angles | 90.00, 97.62, 90.00 |
Refinement procedure
| Resolution | 19.900 - 2.100 |
| R-factor | 0.178 |
| Rwork | 0.176 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sqj |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.327 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.790 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.120 | 0.520 |
| Number of reflections | 220410 | |
| <I/σ(I)> | 9.9 | 2.5 |
| Completeness [%] | 99.0 | 98.3 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5MM CDCL2, 12% PEG 4K, NA CACODYLATE PH 6.5 |
