8DEZ

Abp2D Receptor Binding Domain ACICU

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	2019-09-06
Detector	RDI CMOS_8M
Wavelength(s)	0.9762
Spacegroup name	P 41 21 2
Unit cell lengths	51.176, 51.176, 128.236
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.530 - 1.290
R-factor	0.2022
Rwork	0.202
R-free	0.20570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u4k
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]	47.530	1.336
High resolution limit [Å]	1.290	1.290
Rmerge	0.040	0.685
Rmeas	0.056	0.970
Number of reflections	41674	5543
<I/σ(I)>	15.57	0.9
Completeness [%]	95.0	65.35
Redundancy	2
CC(1/2)	0.999	0.520

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292.15	0.1 M Li2SO4, 0.1 M Sodium Citrate and 15% Ethanol