4UOT
Thermodynamic hyperstability in parametrically designed helical bundles
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-29 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 55.400, 88.020, 103.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.433 - 1.690 |
| R-factor | 0.1785 |
| Rwork | 0.178 |
| R-free | 0.18450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | ROSETTA MODEL |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.769 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 1.730 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.050 | 0.620 |
| Number of reflections | 11034 | |
| <I/σ(I)> | 16.5 | 2.3 |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 5.3 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 0.2 M AMMONIUM SULFATE, 0.1 M SODIUM CITRATE PH 5.6 AND 25 % W/V PEG4000 |
