7QHP
Structure of I-Ag7 with a bound hybrid insulin peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979185 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 91.996, 108.819, 98.055 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.410 - 1.820 |
R-factor | 0.1847 |
Rwork | 0.183 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1muj |
RMSD bond length | 0.009 |
RMSD bond angle | 0.943 |
Data reduction software | autoPROC (1.0.5) |
Data scaling software | autoPROC (1.0.5) |
Phasing software | REFMAC (5.8.0267) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.254 | 70.254 |
High resolution limit [Å] | 1.820 | 4.939 |
Rmerge | 0.076 | 0.037 |
Rmeas | 0.084 | 0.042 |
Rpim | 0.036 | 0.018 |
Number of reflections | 44356 | 2365 |
<I/σ(I)> | 11.6 | 30.4 |
Completeness [%] | 99.9 | |
Redundancy | 5.5 | |
CC(1/2) | 0.998 | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.17 M ammonium sulfate, 25% w/v PEG 4000, 15% glycerol |