7YAW

Crystal structure of ZAK in complex with compound YH-180

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	57.675, 142.772, 179.132
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.690 - 2.100
R-factor	0.2085
Rwork	0.207
R-free	0.24280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5x5o
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.690	2.150
High resolution limit [Å]	2.100	2.100
Rpim	0.050	0.487
Number of reflections	83627	5784
<I/σ(I)>	2	2
Completeness [%]	96.0
Redundancy	20

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.05 M Magnesium acetate, 0.05 M Sodium acetate pH 5.0, 28% PEG400