8EYN

Crystal Structure of Human Mitochondrial NADP+ Malic Enzyme 3 in Apo Form

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	2018-10-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	151.750, 75.130, 118.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.500 - 1.940
R-factor	0.1636
Rwork	0.163
R-free	0.18600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qr6
RMSD bond length	0.004
RMSD bond angle	0.611
Data reduction software	XDS (20180409)
Data scaling software	XSCALE (20180409)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.500	1.990
High resolution limit [Å]	1.940	1.940
Rmeas	0.120	1.090
Number of reflections	100206	49564
<I/σ(I)>	13.37	2.06
Completeness [%]	99.4	98.9
Redundancy	6.6	6.8
CC(1/2)	0.998	0.698

Crystallization Conditions

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