6MXW
Room-temperature structure of hydrogenated Tetdron (isomorph 1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 300 |
| Detector technology | IMAGE PLATE |
| Collection date | 2018-03-20 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.730, 129.966, 98.725 |
| Unit cell angles | 90.00, 105.32, 90.00 |
Refinement procedure
| Resolution | 35.995 - 2.049 |
| R-factor | 0.1574 |
| Rwork | 0.155 |
| R-free | 0.20090 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.967 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.120 |
| High resolution limit [Å] | 2.049 | 2.049 |
| Rmerge | 0.043 | 0.344 |
| Number of reflections | 97428 | 4211 |
| <I/σ(I)> | 74 | |
| Completeness [%] | 96.0 | |
| Redundancy | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291.15 | 50 mM Tris pH 7.5, 0.15 M NaOAc, and 24% w/v polyethylene glycol 4,000 |
