7K3C
SGMGGIT segment 58-64 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 | 2018-08-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 8.360, 51.610, 9.530 |
Unit cell angles | 90.00, 109.10, 90.00 |
Refinement procedure
Resolution | 25.805 - 1.100 |
Rwork | 0.156 |
R-free | 0.16940 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.012 |
RMSD bond angle | 1.815 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELXD |
Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.810 | 25.810 | 1.130 |
High resolution limit [Å] | 1.100 | 4.920 | 1.100 |
Rmerge | 0.182 | 0.162 | 0.351 |
Rmeas | 0.224 | 0.191 | 0.462 |
Number of reflections | 2926 | 35 | 148 |
<I/σ(I)> | 3.33 | 5.5 | 1.39 |
Completeness [%] | 93.3 | 100 | 62.7 |
Redundancy | 2.636 | 2.657 | 2.007 |
CC(1/2) | 0.955 | 0.993 | 0.946 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 298 | 0.1 M phoshate/citrate pH 4.2, 40% ethanol, 5% PEG 1000 |