8YEV

Dual-specificity tyrosine phosphorylation-regulated kinase 1A in complex with coumestrol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	95
Detector technology	CCD
Collection date	2020-12-10
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	P 63
Unit cell lengths	132.689, 132.689, 91.465
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.327 - 2.252
R-factor	0.187271484388
Rwork	0.185
R-free	0.23852
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.947
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX (1.11_2567)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.330
High resolution limit [Å]	2.250	2.250
Number of reflections	43425	4321
<I/σ(I)>	42.2
Completeness [%]	100.0
Redundancy	12.5
CC(1/2)	0.910	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	291	20% Jeffamine ED-200, 0.1 M Imidazole