3WWA
Crystal structure of the computationally designed Pizza7 protein after heat treatment
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 |
| Wavelength(s) | 0.98000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.056, 69.498, 92.301 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.704 - 1.988 |
| R-factor | 0.1966 |
| Rwork | 0.193 |
| R-free | 0.25850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.223 |
| 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 | 2.030 |
| High resolution limit [Å] | 1.988 | 2.000 |
| Rmerge | 0.075 | 0.344 |
| Number of reflections | 17958 | |
| <I/σ(I)> | 39.27 | 8.69 |
| Completeness [%] | 98.1 | 99.8 |
| Redundancy | 5.4 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.085M HEPES Sodium Salt pH 7.5, 8.5% Isopropanol, 17% PEG 4000, 15% Glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
