7DYC

Crystal structure of the chemically synthesized mk2h_deltaMILPYS peptide homodimer in complex with malate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2020-12-10
Detector	RAYONIX MX225HE
Wavelength(s)	1
Spacegroup name	P 31 2 1
Unit cell lengths	52.278, 52.278, 146.731
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.225 - 2.300
R-factor	0.2291
Rwork	0.226
R-free	0.26170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7dxz
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.300	2.300
Number of reflections	10931	1638
<I/σ(I)>	17.17
Completeness [%]	99.7
Redundancy	21.19
CC(1/2)	0.998	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2100 mM DL Malic acid pH 7.0