8DY4

Crystal Structure of spFv CAT2200 HL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 31 2 1
Unit cell lengths	63.340, 63.340, 104.580
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.860 - 2.400
R-factor	0.265
Rwork	0.262
R-free	0.32790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qhu
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18_3855)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.860	34.860	2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.077	0.026	1.229
Rmeas	0.081	0.028	1.300
Number of reflections	9924	137	717
<I/σ(I)>	15.52	47.96	2.07
Completeness [%]	99.7	97.9	99.6
Redundancy	9.6
CC(1/2)	0.999	1.000	0.985

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.5	298	100 mM Na Acetate, 1500 mM (NH4)2SO4