8E1V

Asp1 kinase in complex with ADPNP Mg IP6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	47.560, 86.990, 86.287
Unit cell angles	90.00, 95.20, 90.00

Refinement procedure

Resolution	43.500 - 1.900
R-factor	0.1981
Rwork	0.197
R-free	0.22520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8e1h
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.068	0.027	0.558
Rmeas	0.079	0.031	0.653
Rpim	0.040	0.015	0.334
Number of reflections	103799	2790	2668
<I/σ(I)>	12
Completeness [%]	98.7	98.8	99.3
Redundancy	4	4.1	3.9
CC(1/2)		0.999	0.643

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M bis-tris (pH 5.5), 0.1 M NH4OAc, 17% PEG 10,000.