9E6M

Crystal structure of the G200R mutant from the maize chloroplastic photosynthetic NADP(+)-dependent malic enzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97623
Spacegroup name	P 21 21 21
Unit cell lengths	98.679, 124.161, 189.472
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 2.700
R-factor	0.24182
Rwork	0.239
R-free	0.29617
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.707
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MrBUMP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	124.160	2.770
High resolution limit [Å]	2.700	2.700
Rmerge	0.190	1.687
Rmeas	0.213	1.865
Rpim	0.092	0.780
Number of reflections	63889	4473
<I/σ(I)>	5.3	1.1
Completeness [%]	99.1	99.8
Redundancy	5.3	5.5
CC(1/2)	0.993	0.620

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	277	2.0 M ammonium sulfate, 0.1 M sodium acetate/acetic acid buffer, pH 4.6