3WQ7
New crystal form of the hyperthermophilic family 12 endo-cellulase from Pyrococcus furiosus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-21 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 134.729, 62.568, 86.284 |
| Unit cell angles | 90.00, 95.08, 90.00 |
Refinement procedure
| Resolution | 43.010 - 1.680 |
| R-factor | 0.1831 |
| Rwork | 0.181 |
| R-free | 0.21690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.538 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.710 |
| High resolution limit [Å] | 1.680 | 4.560 | 1.680 |
| Rmerge | 0.068 | 0.049 | 0.367 |
| Number of reflections | 81623 | ||
| <I/σ(I)> | 14.2 | ||
| Completeness [%] | 100.0 | 99.6 | 100 |
| Redundancy | 3.8 | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 295 | 0.1M CHC, 0.2M lithium sulfate, 5%(v/v) ethanol, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K |
