6YVB

Arabidopsis aspartate transcarbamoylase complex with carbamoyl phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97910
Spacegroup name	P 21 21 21
Unit cell lengths	103.268, 109.481, 212.042
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.278 - 1.826
Rwork	0.172
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ys6
RMSD bond length	0.011
RMSD bond angle	1.692
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.278	1.930
High resolution limit [Å]	1.826	1.826
Rmerge	0.051	1.058
Number of reflections	212623	30789
<I/σ(I)>	17.6
Completeness [%]	100.0
Redundancy	6.7
CC(1/2)	0.999	0.704

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	Protein at 5 mg/ml in buffer 20 mM Tris pH 7.0, 0.1 M NaCl, 2% glycerol, 0.2 mM tris(2-carboxyethyl) phosphine (TCEP), with 10 mM carbamoyl phosphate. Crystallization solution: 25% PEG3350, 0.2 M Li2SO4 and 0.1 M bis-tris pH 5.5. Cryo-conditions achieved by increasing glycerol concentration up to 20% in presence of carbamoyl phosphate.