7RM9

Human Malate Dehydrogenase I (MDHI)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-15
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	51.503, 84.312, 77.652
Unit cell angles	90.00, 91.22, 90.00

Refinement procedure

Resolution	38.820 - 1.650
R-factor	0.1674
Rwork	0.166
R-free	0.19500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mdh
RMSD bond length	0.006
RMSD bond angle	0.910
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.634	1.678
High resolution limit [Å]	1.650	1.650
Rmerge	0.048	0.321
Rmeas	0.061	0.385
Rpim	0.032	0.209
Number of reflections	73795	3944
<I/σ(I)>	13.8	3.2
Completeness [%]	92.6
Redundancy	3.6
CC(1/2)	0.998	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.25	293	28% PEG 4000, 100 mM Malonate pH 7.25, 0.15 mM ammonium acetate