7ZU9

CRYSTAL STRUCTURE OF THE C89A_C113A GMP SYNTHETASE INACTIVE DOUBLE MUTANT FROM PLASMODIUM FALCIPARUM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-14
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.87290
Spacegroup name	C 1 2 1
Unit cell lengths	111.650, 64.540, 56.330
Unit cell angles	90.00, 90.03, 90.00

Refinement procedure

Resolution	28.160 - 2.800
R-factor	0.2739
Rwork	0.270
R-free	0.31390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wio 4wim 4win
RMSD bond length	0.005
RMSD bond angle	1.005
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.160	3.200
High resolution limit [Å]	2.800	2.800
Number of reflections	9228	2928
<I/σ(I)>	9.3
Completeness [%]	92.3
Redundancy	2.6
CC(1/2)	0.990	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	16 % polyethylene glycol (PEG) 3350, 0.06 M sodium citrate (pH 2.3) and 0.04 M Bis-Tris propane (pH 9.7)