6Z7W

Human insulin in complex with the analytical antibody HUI-018 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	50.230, 216.610, 101.090
Unit cell angles	90.00, 103.84, 90.00

Refinement procedure

Resolution	29.870 - 2.420
R-factor	0.2109
Rwork	0.209
R-free	0.27460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	12e8
RMSD bond length	0.010
RMSD bond angle	1.347
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18_3845)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.900	2.597
High resolution limit [Å]	2.420	2.420
Rmerge	0.107	0.794
Rmeas	0.131	1.004
Rpim	0.075	0.606
Number of reflections	77030	17424
<I/σ(I)>	9.06	1.67
Completeness [%]	96.8	90.97
Redundancy	2.8	2.4
CC(1/2)	0.988	0.565

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.2 M Hepes, pH 7, 20 % (v/w) PEG 8000