6U8C

Crystal structure of an engineered ultra-high affinity Fab-Protein G complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03322
Spacegroup name	P 32 2 1
Unit cell lengths	75.130, 75.130, 340.050
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.014 - 2.610
R-factor	0.2018
Rwork	0.192
R-free	0.25010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hff 1igd
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	BALBES
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.580	2.730
High resolution limit [Å]	2.610	2.610
Rpim	0.089	0.720
Number of reflections	33384	3910
<I/σ(I)>	8.5
Completeness [%]	95.0	93.5
Redundancy	7.6	6.4
CC(1/2)	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	0.1 M Magnesium Chloride, 0.1 M Sodium Acetate, 15% PEG4000