3WWB
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 | 2013-10-28 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.98000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.449, 63.695, 69.903 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.952 - 1.700 |
| R-factor | 0.1721 |
| Rwork | 0.170 |
| R-free | 0.20220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.180 |
| 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] | 1.700 | 1.700 |
| Rmerge | 0.059 | 0.410 |
| Number of reflections | 30689 | |
| <I/σ(I)> | 44.59 | 7.28 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 5.9 | 5.7 |
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 |
