6YW9

Arabidopsis aspartate transcarbamoylase mutant F161A complex with PALA

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	2019-01-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 21 21 21
Unit cell lengths	80.271, 98.283, 138.775
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.300 - 1.680
R-factor	0.1525
Rwork	0.151
R-free	0.17440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ys6
RMSD bond length	0.010
RMSD bond angle	1.125
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.320	1.710
High resolution limit [Å]	1.680	1.680
Rmerge	0.053	0.840
Number of reflections	125454	6151
<I/σ(I)>	18.4	2
Completeness [%]	100.0	100
Redundancy	6.6	6.5
CC(1/2)	0.999	0.701

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) and with 2 mM PALA. Crystallization solution: 25% PEG3350, 0.2 M Li2SO4 and 0.1 M bis-tris pH 5.5. Crystals were cryo-protected by soaking in a solution containing the mother liquor supplemented with 20% glycerol and the 2 mM PALA.