7N1K
Crystal structure of a de novo-designed mini-protein targeting FGFR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-12 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979180 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 42.482, 42.482, 83.143 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.480 - 3.010 |
R-factor | 0.2724 |
Rwork | 0.271 |
R-free | 0.29830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PREDICTED MODEL |
RMSD bond length | 0.003 |
RMSD bond angle | 0.369 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.190 |
High resolution limit [Å] | 3.010 | 3.010 |
Number of reflections | 1644 | 247 |
<I/σ(I)> | 17.85 | |
Completeness [%] | 93.8 | |
Redundancy | 5.5 | |
CC(1/2) | 0.999 | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295.15 | 1,6-hexanediol, 1-butanol, 1,2-propanediol, 2-propanol, 1,4-butanediol, 1,3-Propanediol, Tris-BICINE (pH 8.5), MPD, PEG 1000, PEG 3350 |