9MYF

Human malic enzyme 2 complex with inhibitor NPD-389

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95372
Spacegroup name	C 1 2 1
Unit cell lengths	204.048, 58.923, 106.929
Unit cell angles	90.00, 101.94, 90.00

Refinement procedure

Resolution	49.219 - 2.450
Rwork	0.229
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.896
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.219	2.540
High resolution limit [Å]	2.450	2.450
Number of reflections	46166	4486
<I/σ(I)>	9	0.9
Completeness [%]	100.0	100
Redundancy	12
CC(1/2)	0.998	0.595

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291	0.1 M SPG (Succinic acid, Sodium phosphate monobasic monohydrate, Glycine), 25% PEG-1500, pH= 6.0.