6JWU

Crystal structure of Plasmodium falciparum HPPK-DHPS wild type with STZ-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	2012-11-28
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	99.152, 136.963, 137.112
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.660 - 2.650
R-factor	0.1998
Rwork	0.196
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jwq
RMSD bond length	0.007
RMSD bond angle	1.513
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.740
High resolution limit [Å]	2.650	5.710	2.650
Rmerge	0.049	0.016	0.451
Total number of observations	196129
Number of reflections	51575	5218	5175
<I/σ(I)>	14.5
Completeness [%]	94.1	90.4	96
Redundancy	3.8	3.7	3.8

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