8DKA

Abp2D receptor binding domain R86E

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2021-11-06
Detector	RDI CMOS_8M
Wavelength(s)	1.072
Spacegroup name	P 21 21 21
Unit cell lengths	36.438, 51.847, 81.828
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.796 - 1.900
R-factor	0.213
Rwork	0.212
R-free	0.24030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8dez
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.800	1.968
High resolution limit [Å]	1.900	1.900
Rmerge	0.115	0.887
Rmeas	0.124	0.957
Rpim	0.047	0.357
Number of reflections	12772	1230
<I/σ(I)>	15.46	3.17
Completeness [%]	100.0	99.92
Redundancy	7	7.2
CC(1/2)	0.998	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292.15	0.2 M (NH4)2SO4, 20% Isopropanol, 16% PEG 4000, and 0.1 M HEPES pH 7.5