8BFE
A dimeric de novo coiled-coil assembly: PK-2 (CC-TypeN-LaUbUcLd)
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 | 2021-04-24 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 59.891, 133.886, 72.634 |
Unit cell angles | 90.00, 104.47, 90.00 |
Refinement procedure
Resolution | 48.540 - 2.100 |
R-factor | 0.2254 |
Rwork | 0.222 |
R-free | 0.26070 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.013 |
RMSD bond angle | 1.520 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | Arcimboldo |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.540 | 2.175 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.086 | 0.415 |
Number of reflections | 32270 | 3196 |
<I/σ(I)> | 10.15 | 1.06 |
Completeness [%] | 99.9 | |
Redundancy | 6.8 | |
CC(1/2) | 0.988 | 0.971 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M Sodium HEPES 7.5, 70% v/v MPD |