8ONI

Human insulin in complex with the analytical antibody S1 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	2013-09-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	83.307, 71.896, 99.640
Unit cell angles	90.00, 112.39, 90.00

Refinement procedure

Resolution	41.620 - 2.300
R-factor	0.1995
Rwork	0.197
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	0.732
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.620	2.382
High resolution limit [Å]	2.300	2.300
Rmerge	0.062	0.201
Rmeas	0.074	0.244
Rpim	0.040	0.136
Number of reflections	48254	13829
<I/σ(I)>	19.81	6.41
Completeness [%]	99.2	95.74
Redundancy	3.4	3
CC(1/2)	0.996	0.944

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M HEPES pH 7.5, 25%(w/v) PEG 2000 MME