3WWF
Crystal structure of the computationally designed Pizza2-SR 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 | 36.912, 69.701, 103.007 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.864 - 1.601 |
| R-factor | 0.1976 |
| Rwork | 0.195 |
| R-free | 0.24020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.166 |
| 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 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.054 | 0.213 |
| Number of reflections | 35121 | |
| <I/σ(I)> | 64.88 | 19.32 |
| Completeness [%] | 97.9 | 99.9 |
| Redundancy | 9.5 | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 1M Lithium Chloride, 0.1M Tris-HCl pH 8.0, 20% PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
