4L0G
Crystal Structure of a GH48 cellobiohydrolase from Caldicellulosiruptor bescii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 116.313, 57.225, 105.897 |
| Unit cell angles | 90.00, 103.38, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.1959 |
| Rwork | 0.195 |
| R-free | 0.21880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.004 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.092 | 0.047 | 0.601 |
| Number of reflections | 45267 | ||
| <I/σ(I)> | 11.1 | ||
| Completeness [%] | 99.3 | 97.3 | 99.6 |
| Redundancy | 7.3 | 6.9 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 287 | 18% PEG 4000,0.1 M Tris-Bis,18% 2-Propanol, vapor diffusion , pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 287K |
