5HKN
Crystal structure de novo designed fullerene organizing protein complex with fullerene
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-D |
| Temperature [K] | 100 |
| Detector technology | AREA DETECTOR |
| Collection date | 2015-01-14 |
| Detector | RIGAKU |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 62 |
| Unit cell lengths | 41.710, 41.710, 67.230 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.608 - 1.761 |
| R-factor | 0.2064 |
| Rwork | 0.203 |
| R-free | 0.23910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s0r |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.828 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.050 | 0.309 |
| Number of reflections | 6255 | |
| <I/σ(I)> | 15.6 | 1.8 |
| Completeness [%] | 94.6 | 69.1 |
| Redundancy | 5.1 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M N-(2-Acetamido)iminodiacetic acid, N-(Carbamoylmethyl)iminodiacetic acid (ADA) buffer |
