7ZST

Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with FLA-01

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	2020-08-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033200
Spacegroup name	I 1 2 1
Unit cell lengths	119.284, 89.735, 137.052
Unit cell angles	90.00, 109.22, 90.00

Refinement procedure

Resolution	49.504 - 2.500
Rwork	0.236
R-free	0.28240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ilq
RMSD bond length	0.010
RMSD bond angle	1.671
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]	49.504	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.032	0.012
Rmeas	0.045	0.016
Rpim	0.032	0.012
Number of reflections	47374	4608
<I/σ(I)>	13.3
Completeness [%]	99.9
Redundancy	2	2
CC(1/2)	0.999	0.878

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