7DKK
De novo design protein XM2H
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-17 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.5406 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.192, 63.712, 70.742 |
| Unit cell angles | 90.00, 101.62, 90.00 |
Refinement procedure
| Resolution | 13.024 - 2.100 |
| R-factor | 0.2277 |
| Rwork | 0.226 |
| R-free | 0.26550 |
| Structure solution method | MIR |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.938 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 13.030 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.105 | 0.745 |
| Number of reflections | 23355 | 1193 |
| <I/σ(I)> | 13.44 | 0.91 |
| Completeness [%] | 94.8 | |
| Redundancy | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 2.0M Sodium chloride, 10%w/v Polyethylene glycol 6000 |
