5ILN

Crystal structure of Aspartate Transcarbamoylase from Plasmodium falciparum (PfATC) with bound citrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-02
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.965
Spacegroup name	P 1 21 1
Unit cell lengths	86.450, 107.290, 87.320
Unit cell angles	90.00, 117.46, 90.00

Refinement procedure

Resolution	45.100 - 2.210
R-factor	0.18224
Rwork	0.180
R-free	0.23398
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PfATC-Met3
RMSD bond length	0.023
RMSD bond angle	2.248
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.100	2.290
High resolution limit [Å]	2.210	2.210
Rmerge	0.108	0.800
Number of reflections	69115
<I/σ(I)>	5	0.8
Completeness [%]	97.7	83.8
Redundancy	2.9	2.2
CC(1/2)	0.984

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Potassium citrate tribasic monohydrate, 20 % w/v PEG 3350