5IEI

X-ray crystallographic structure of a high affinity IGF2 antagonist (Domain11 AB5 RHH) based on human IGF2R domain 11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	80
Detector technology	PIXEL
Collection date	2015-01-24
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	42.120, 48.560, 62.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.360 - 2.800
R-factor	0.22479
Rwork	0.222
R-free	0.24908
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gp0
RMSD bond length	0.015
RMSD bond angle	1.745
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.360	2.860
High resolution limit [Å]	2.800	2.800
Rmerge	0.200	1.200
Number of reflections	3414
<I/σ(I)>	6.4	1.35
Completeness [%]	99.8	100
Redundancy	6.2	6.4
CC(1/2)	0.989

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	2.0 M Ammonium Sulphate, 0.1M Bis-(2-hydroxyethyl)imino-tris(hydroxymethyl methane, pH 7.0.