3H3K
Structure of A. acidocaldarius cellulase CelA in complex with cellotetraose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-31 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 85.090, 129.300, 49.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.220 - 2.100 |
| R-factor | 0.18805 |
| Rwork | 0.186 |
| R-free | 0.21727 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gzk |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.114 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.230 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.090 | 0.579 |
| Number of reflections | 31580 | |
| <I/σ(I)> | 11.6 | 2.4 |
| Completeness [%] | 97.5 | 96.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 50% MPD, 100mM Hepes, pH7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
