5BYW
Crystal structure of engineered trifunctional CtCEL5E
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 222.325, 222.325, 207.895 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.600 |
| R-factor | 0.21133 |
| Rwork | 0.209 |
| R-free | 0.26048 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.519 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.111 | 0.826 |
| Rmeas | 0.115 | |
| Rpim | 0.029 | |
| Total number of observations | 1371705 | |
| Number of reflections | 92695 | |
| <I/σ(I)> | 9.8 | 3.952 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14.8 | 14.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 50mM sodium acetate, 8% PEG 4000 |
