3WW7
Crystal structure of the computationally designed Pizza2 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 | 2014-05-19 |
| Detector | ADSC QUANTUM 270 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.235, 69.709, 91.104 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.491 - 1.697 |
| R-factor | 0.1765 |
| Rwork | 0.174 |
| R-free | 0.22140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.131 |
| 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 | 1.730 |
| High resolution limit [Å] | 1.697 | 1.700 |
| Rmerge | 0.078 | 0.444 |
| Number of reflections | 27597 | |
| <I/σ(I)> | 29.93 | 5.09 |
| Completeness [%] | 92.7 | 91.1 |
| Redundancy | 4.6 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20mM Magnesium chloride, 100mM HEPES pH 7.5, 22% Polyacrylic acid 5100 Sodium sult, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
