7DXZ

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

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	2020-11-19
Detector	RAYONIX MX225HE
Wavelength(s)	1
Spacegroup name	P 31 2 1
Unit cell lengths	52.070, 52.070, 146.376
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.415 - 1.900
R-factor	0.1995
Rwork	0.195
R-free	0.24290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7dxx
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	2.010
High resolution limit [Å]	1.900	1.900
Number of reflections	18940	2985
<I/σ(I)>	31.49
Completeness [%]	99.8
Redundancy	21.37
CC(1/2)	1.000	0.957

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	3000 M Sodium malonate dibasic