6YS6

Arabidopsis aspartate transcarbamoylase complex with PALA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96600
Spacegroup name	P 21 21 21
Unit cell lengths	86.740, 94.930, 132.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.500 - 1.550
R-factor	0.1269
Rwork	0.125
R-free	0.15780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g1n
RMSD bond length	0.008
RMSD bond angle	1.026
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]	72.500	1.600
High resolution limit [Å]	1.550	1.550
Rmerge	0.058
Number of reflections	155447	15241
<I/σ(I)>	15.07
Completeness [%]	97.4
Redundancy	4.8
CC(1/2)	0.999	0.752

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	protein: 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 2 mM PALA Crystallization solution: 25% PEG3350, 0.2 M Li2SO4 and 0.1 M bis-tris pH 5.5