7ZEA

Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor O-benzylhydroxylamine

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	87.025, 104.507, 87.301
Unit cell angles	90.00, 117.47, 90.00

Refinement procedure

Resolution	45.278 - 2.448
Rwork	0.182
R-free	0.22310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ilq
RMSD bond length	0.013
RMSD bond angle	1.870
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASES
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.278	2.520
High resolution limit [Å]	2.448	2.450
Rmerge	0.051	0.464
Rmeas	0.070	0.643
Rpim	0.048	0.443
Number of reflections	50829	4363
<I/σ(I)>	11.3
Completeness [%]	99.4
Redundancy	3.4	3.3
CC(1/2)	0.999	0.852

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