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