8U5W
De novo designed pentameric helical bundle protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-06-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.999967 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.588, 74.353, 194.338 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.531 - 3.050 |
| R-factor | 0.2385 |
| Rwork | 0.234 |
| R-free | 0.27880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.534 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.531 | 3.050 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmeas | 0.173 | 0.757 |
| Rpim | 0.072 | 0.356 |
| Number of reflections | 12101 | 482 |
| <I/σ(I)> | 6.8 | 1 |
| Completeness [%] | 88.5 | 74.3 |
| Redundancy | 5.6 | 3.8 |
| CC(1/2) | 0.706 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293.15 | 0.2 M Ammonium acetate, 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3,350 |
