6HL7

Crystal structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with mutated active site (R109A/K138A) and N-carbamoyl-L-phosphate bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	C 1 2 1
Unit cell lengths	148.001, 89.715, 121.642
Unit cell angles	90.00, 122.17, 90.00

Refinement procedure

Resolution	57.610 - 2.500
R-factor	0.207
Rwork	0.204
R-free	0.25780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ilq
RMSD bond length	0.010
RMSD bond angle	1.946
Data reduction software	XDS
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.610	2.640
High resolution limit [Å]	2.500	2.500
Rmeas	0.066	0.957
Number of reflections	46404	7154
<I/σ(I)>	12.95
Completeness [%]	97.6	94
Redundancy	3.16	3.21
CC(1/2)	0.999	0.619

Crystallization Conditions

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