7ZID

Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with BDA-14

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	2021-02-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033200
Spacegroup name	I 1 2 1
Unit cell lengths	119.260, 90.016, 136.942
Unit cell angles	90.00, 108.87, 90.00

Refinement procedure

Resolution	45.599 - 2.550
Rwork	0.199
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ilq
RMSD bond length	0.011
RMSD bond angle	1.779
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]	45.599	2.650
High resolution limit [Å]	2.550	2.550
Rmerge	0.045	0.045
Rmeas	0.063	0.063
Rpim	0.045	0.045
Number of reflections	43972	43972
<I/σ(I)>	9.4
Completeness [%]	98.1
Redundancy	1.9	1.9
CC(1/2)	0.998	0.609

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