8E1T

Asp1 kinase in complex with ADPNP Mg IP7

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	2022-04-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	47.602, 87.511, 85.988
Unit cell angles	90.00, 94.78, 90.00

Refinement procedure

Resolution	47.440 - 1.710
R-factor	0.1833
Rwork	0.182
R-free	0.21330
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 (1.19.1_4122)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.740
High resolution limit [Å]	1.710	4.640	1.710
Rmerge	0.056	0.030	0.483
Rmeas	0.065	0.035	0.560
Rpim	0.033	0.018	0.278
Number of reflections	138213	3746	3272
<I/σ(I)>	11.8
Completeness [%]	95.9	96.5	87.8
Redundancy	3.9	3.7	3.7
CC(1/2)		0.997	0.784

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M bis-tris propane (pH 8.1), 0.15 M NaF, and 20% PEG 3,350