7K3Y
GGYAGAS segment 52-58 from Keratin-8
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 | 2018-11-06 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 |
Unit cell lengths | 9.430, 10.490, 16.630 |
Unit cell angles | 88.85, 76.32, 74.06 |
Refinement procedure
Resolution | 10.080 - 1.100 |
R-factor | 0.1661 |
Rwork | 0.163 |
R-free | 0.19330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | ideal beta strand |
RMSD bond length | 0.019 |
RMSD bond angle | 1.517 |
Data reduction software | XDS (20180409) |
Data scaling software | XSCALE (20180409) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.18.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 16.140 | 16.140 | 1.130 |
High resolution limit [Å] | 1.100 | 4.670 | 1.100 |
Rmerge | 0.157 | 0.092 | 0.285 |
Rmeas | 0.208 | 0.118 | 0.373 |
Number of reflections | 1830 | 28 | 43 |
<I/σ(I)> | 4.29 | 6.68 | 1.86 |
Completeness [%] | 76.2 | 93.3 | 23.2 |
Redundancy | 2.146 | 2.143 | 2.14 |
CC(1/2) | 0.984 | 0.995 | 0.951 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 2.5M sodium chloride, 100mM sodium acetate/acetic acid (pH 4.5), 0.2M lithium sulfate |