8JNW

PfDXR - Mn2+ - NADPH - MAMK89 quaternary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98000
Spacegroup name	P 1 21 1
Unit cell lengths	51.518, 78.201, 111.144
Unit cell angles	90.00, 92.64, 90.00

Refinement procedure

Resolution	63.930 - 1.440
R-factor	0.16698
Rwork	0.166
R-free	0.18971
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	2.240
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.930	1.460
High resolution limit [Å]	1.440	1.440
Number of reflections	153663	5311
<I/σ(I)>	9.9
Completeness [%]	96.5
Redundancy	6.4
CC(1/2)	0.997	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Tris-HCl pH 8.0, 20%(w/v) PEG6000, and 0.2 M CaCl2