7K3X
SGMGCIT segment 58-64 from Keratin-8 with G62C mutation
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 | 2018-06-26 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9791 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 4.740, 46.170, 10.330 |
Unit cell angles | 90.00, 103.33, 90.00 |
Refinement procedure
Resolution | 23.086 - 1.705 |
Rwork | 0.247 |
R-free | 0.24810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | ideal beta strand |
RMSD bond length | 0.011 |
RMSD bond angle | 1.908 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.8.2) |
Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 1.760 |
High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
Rmerge | 0.192 | 0.123 | 0.947 |
Rmeas | 0.219 | 0.139 | 1.149 |
Rpim | 0.102 | 0.062 | 0.636 |
Total number of observations | 2087 | ||
Number of reflections | 472 | 56 | 40 |
<I/σ(I)> | 4.3 | ||
Completeness [%] | 93.5 | 94.9 | 71.4 |
Redundancy | 4.4 | 4.8 | 2.6 |
CC(1/2) | 0.976 | 0.026 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.2M sodium citrate tribasic dehydrate, 0.1M HEPES (pH 7.5), 20% v/v 2-propanol |