6JWY

Crystal structure of Plasmodium falciparum HPPK-DHPS A437G with SDX-DHP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-27
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	98.433, 137.153, 137.738
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.950 - 2.500
R-factor	0.2098
Rwork	0.209
R-free	0.22090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jwq
RMSD bond length	0.006
RMSD bond angle	1.392
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.041	0.010	0.418
Total number of observations	252315
Number of reflections	63915	6717	5695
<I/σ(I)>	18
Completeness [%]	98.3	98.2	88.6
Redundancy	3.9	3.9	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	9	298	0.1 M bicine buffer pH 9.0, 0.5-0.6 M Ca acetate and 20%w/v PEG4000