3H2W
Structure of A. acidocaldarius cellulase CelA in complex with cellobiose
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 | 2008-10-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 84.892, 129.398, 48.965 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.920 - 2.660 |
| R-factor | 0.19591 |
| Rwork | 0.193 |
| R-free | 0.25421 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gzk |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.401 |
| 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] | 28.000 | 2.820 |
| High resolution limit [Å] | 2.660 | 2.660 |
| Rmerge | 0.161 | 0.697 |
| Number of reflections | 16129 | |
| <I/σ(I)> | 12.1 | 2.9 |
| Completeness [%] | 99.6 | 98.7 |
| Redundancy | 6 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 0.6M hexanediol, 100mM sodium acetate, pH5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
