6FQY

Plasmodium falciparum 6-phosphogluconate dehydrogenase in its apo form, in complex with its cofactor NADP+ and in complex with its substrate 6-phosphogluconate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-11
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9538
Spacegroup name	P 32 2 1
Unit cell lengths	99.320, 99.320, 181.750
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.600 - 2.900
R-factor	0.2334
Rwork	0.229
R-free	0.28940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fqz
RMSD bond length	0.005
RMSD bond angle	0.994
Data reduction software	XDS (2017)
Data scaling software	XSCALE (2017)
Phasing software	PHENIX (dev_2645: ???)
Refinement software	PHENIX ((dev_2645: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.600	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.170
Rmeas	0.190
Rpim	0.085
Number of reflections	23632	2323
<I/σ(I)>	9.69
Completeness [%]	99.8	99.6
Redundancy	5	5
CC(1/2)	0.995	0.310

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	295	25% MME550 and 0.1 M Hepes (4.6)