8EK4
De novo designed ice-binding proteins from twist-constrained helices
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-14 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.582, 67.427, 74.326 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.940 - 2.350 |
R-factor | 0.2614 |
Rwork | 0.259 |
R-free | 0.31370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Designed model |
RMSD bond length | 0.002 |
RMSD bond angle | 0.366 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.940 | 2.430 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.114 | 1.379 |
Rmeas | 0.119 | |
Rpim | 0.033 | 0.381 |
Number of reflections | 11928 | 1172 |
<I/σ(I)> | 13.8 | 1.55 |
Completeness [%] | 99.6 | |
Redundancy | 13.2 | |
CC(1/2) | 0.999 | 0.753 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.02M 1,6-hexanediol, 0.02M 1-butanol, 0.02M 1,2-propanediol, 0.02M 2-propanol, 0.02M 2-propanol, 0.02M 1,4-butanediol, 0.02M 1,3-propanediol, 0.0466M pH 8.5 Tris (base), 0.0534M pH 8.5 Bicine, 20% v/v PEG 500 MME, and 10% w/v PEG 20,000 |