7ZHI

Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor indole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	291
Detector technology	PIXEL
Collection date	2017-12-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033200
Spacegroup name	P 1 21 1
Unit cell lengths	86.714, 103.822, 87.067
Unit cell angles	90.00, 117.92, 90.00

Refinement procedure

Resolution	43.540 - 2.946
Rwork	0.191
R-free	0.23850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ilq
RMSD bond length	0.009
RMSD bond angle	1.715
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.800	3.120
High resolution limit [Å]	2.946	2.950
Rmerge	0.089	0.409
Rmeas	0.123	0.566
Rpim	0.086	0.390
Number of reflections	28662	4263
<I/σ(I)>	9
Completeness [%]	99.0
Redundancy	3.3	3.2
CC(1/2)	0.995	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	200mM NaCl, 15%(w/v)PEG3350, 100mM bis-tris propane, 2%(v/v)DMSO