4IV5

X-ray crystal structure of a putative aspartate carbamoyltransferase from Trypanosoma cruzi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-28
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	83.980, 134.550, 159.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.480 - 2.100
R-factor	0.19381
Rwork	0.191
R-free	0.23807
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ml4
RMSD bond length	0.011
RMSD bond angle	1.506
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	9.390	2.150
High resolution limit [Å]	2.100	6.640	2.100
Rmerge	0.127	0.043	0.555
Number of reflections	102675
<I/σ(I)>	8.93	22.05	2.61
Completeness [%]	97.1	91.9	91.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	pACT E10: 0.2 M sodium monobasic phosphate/potassium dibasic phosphate, 20% PEG 3350, protein at 18.47 mg/ml K, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K