5OPY

Crystal structure of anti-alphaVbeta3 integrin Fab LM609

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-09-18
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9801
Spacegroup name	P 2 21 21
Unit cell lengths	51.810, 82.350, 92.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.160 - 2.260
R-factor	0.2147
Rwork	0.213
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2adg
RMSD bond length	0.010
RMSD bond angle	1.250
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.160	2.360
High resolution limit [Å]	2.260	2.260
Rmerge	0.088	0.496
Number of reflections	19133	9085
<I/σ(I)>	12.7	3.3
Completeness [%]	99.8	98.7
Redundancy	5.3	5.3
CC(1/2)	0.997	0.759

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291.15	0.1M HEPES pH 7.5, 30% PEG 4,000 and 0.2M CaCl2