6TMS
Crystal structure of a de novo designed hexameric helical-bundle protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | OXFORD DIFFRACTION NOVA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-09-24 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 |
| Unit cell lengths | 45.880, 54.330, 79.333 |
| Unit cell angles | 89.80, 90.08, 89.77 |
Refinement procedure
| Resolution | 15.991 - 2.700 |
| R-factor | 0.2958 |
| Rwork | 0.288 |
| R-free | 0.29940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Rossetta model |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.579 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.000 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.145 | 1.047 |
| Rmeas | 0.198 | 1.421 |
| Rpim | 0.134 | 0.954 |
| Number of reflections | 77817 | 2858 |
| <I/σ(I)> | 4.5 | 1.1 |
| Completeness [%] | 98.7 | 94.4 |
| Redundancy | 3 | 3 |
| CC(1/2) | 0.990 | 0.424 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 291 | 0.1 M MES pH 6.6, 17.5% PEG550MME |
