7T2Y
X-ray structure of a designed cold unfolding four helix bundle
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-16 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.356, 52.467, 46.358 |
Unit cell angles | 90.00, 116.82, 90.00 |
Refinement procedure
Resolution | 32.487 - 1.340 |
R-factor | 0.1647 |
Rwork | 0.163 |
R-free | 0.19490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3u3b |
RMSD bond length | 0.008 |
RMSD bond angle | 0.868 |
Data reduction software | XDS (v Jun 1, 2017) |
Data scaling software | Aimless (v 0.6.2) |
Phasing software | PHASER (v 2.8.2) |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.487 | 1.360 |
High resolution limit [Å] | 1.340 | 1.340 |
Rmerge | 0.093 | 0.601 |
Rpim | 0.038 | 0.275 |
Number of reflections | 42055 | 2016 |
<I/σ(I)> | 11.5 | 2.7 |
Completeness [%] | 98.4 | 95.4 |
Redundancy | 6.73 | |
CC(1/2) | 0.996 | 0.827 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.2 M Magnesium Acetate, 20 % PEG 3350 |