8R38

BIIG2 anti-integrin Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95372
Spacegroup name	P 21 21 21
Unit cell lengths	62.930, 80.882, 87.469
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.380 - 1.380
R-factor	0.19651
Rwork	0.195
R-free	0.21710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.703
Data reduction software	DIALS (2.2.11-gad03a188b)
Data scaling software	Aimless (0.7.9)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.700	1.430
High resolution limit [Å]	1.400	1.400
Rmerge	0.096	2.875
Rmeas	0.104	3.266
Rpim	0.039	1.507
Number of reflections	169111	8404
<I/σ(I)>	7.6	0.23
Completeness [%]	99.6	96.4
Redundancy	6.6	4.5
CC(1/2)	0.998	0.104

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	crystallization solution: of 20% w/v PEG 3350, 0.2 M sodium chloride, 2.5% v/v DMSO protein buffer solution: 25 mM Bis-Tris-HCl, approx. 130 mM NaCl at pH 6.5