3WW9
Crystal structure of the computationally designed Pizza6 protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2013-11-13 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.631, 56.214, 70.101 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.957 - 1.330 |
| R-factor | 0.1597 |
| Rwork | 0.158 |
| R-free | 0.19120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.156 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: dev_1412)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.350 |
| High resolution limit [Å] | 1.330 | 1.330 |
| Rmerge | 0.061 | 0.299 |
| Number of reflections | 42870 | |
| <I/σ(I)> | 64.86 | 10.99 |
| Completeness [%] | 95.4 | 65.9 |
| Redundancy | 10.4 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.15M Sodium chloride, 1M Ammonium sulfate, 0.1M HEPES pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
