5W1G

CR1-07 unliganded Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	89.770, 137.410, 78.670
Unit cell angles	90.00, 148.66, 90.00

Refinement procedure

Resolution	44.214 - 2.000
R-factor	0.2333
Rwork	0.231
R-free	0.28150
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	BALBES
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.214	44.214	2.120
High resolution limit [Å]	2.000	5.940	2.000
Rmerge	0.122	0.053	1.022
Rmeas	0.138	0.061	1.161
Total number of observations	146726
Number of reflections	32753	1278	5227
<I/σ(I)>	9.57	27.06	1.65
Completeness [%]	96.3	93.2	96.5
Redundancy	4.48	4.48	4.57
CC(1/2)	0.994	0.996	0.646

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.5	298	19% (v/v) polyethylene glycol monomethyl ether 550, MES pH 6.5 and, 10 mM zinc sulfate heptahydrate.