7RY7

Structure of Plasmepsin X (PM10, PMX) from Plasmodium falciparum 3D7

Replaces:  6ORS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2019-04-18
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	C 1 2 1
Unit cell lengths	192.300, 50.880, 49.920
Unit cell angles	90.00, 93.15, 90.00

Refinement procedure

Resolution	35.260 - 2.100
R-factor	0.2084
Rwork	0.206
R-free	0.23830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3psg
RMSD bond length	0.006
RMSD bond angle	0.800
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MR-Rosetta
Refinement software	PHENIX (1.19 dev 4329)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.046	0.020	1.204
Rmeas	0.053	0.024	1.410
Number of reflections	28381	341	2079
<I/σ(I)>	15.4	52.06	1.11
Completeness [%]	99.8	96.6	99.6
Redundancy	3.95	3.443	3.589
CC(1/2)	0.999	0.998	0.654

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.4	290	RigakuReagents JCSG A7 optimization screen: 100mM Tris HCl / NaOH pH 9.4, 17.86% PEG 8000: PlfaA.17789.b.HE11.PD38363 at 11.4mg/ml: cryo: 20% EG: tray: 3908603 D3: puck qpu2-2