6FQX

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	2014-11-29
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1
Spacegroup name	P 65
Unit cell lengths	134.450, 134.450, 406.050
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.528 - 2.800
R-factor	0.1889
Rwork	0.188
R-free	0.24190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w90
RMSD bond length	0.010
RMSD bond angle	1.296
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]	46.530	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.182
Rmeas	0.192
Rpim	0.060
Number of reflections	101295	9878
<I/σ(I)>	12.3	0.89
Completeness [%]	99.6	97
Redundancy	10.3	8.6
CC(1/2)	0.997	0.250

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	295	25% PEG 4,000, 15% glycerol, 0.085 M NaCitrat (pH 5.6), and 0.17 M Ammonium acetate