8EYO

Crystal Structure of Human Mitochondrial NADP+ Malic Enzyme 3 with NADP bound

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	2018-11-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	152.160, 75.670, 118.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.540 - 2.490
R-factor	0.1805
Rwork	0.179
R-free	0.22560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qr6
RMSD bond length	0.003
RMSD bond angle	0.586
Data reduction software	XDS (20180409)
Data scaling software	XSCALE (20180409)
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.540	2.540
High resolution limit [Å]	2.490	2.490
Rmeas	0.120	1.100
Number of reflections	48412	3490
<I/σ(I)>	14.39	1.95
Completeness [%]	99.3	98.6
Redundancy	6.7	6.8
CC(1/2)	0.998	0.696

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	277	12% PEG-3350, 0.1M Ammonium tartrate dibasic, 0.02M Potassium Citrate tribasic