6YY1

Arabidopsis aspartate transcarbamoylase in apo state

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	103.690, 109.570, 208.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	92.850 - 3.060
R-factor	0.1929
Rwork	0.190
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ypo
RMSD bond length	0.011
RMSD bond angle	1.011
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]	92.850	3.180
High resolution limit [Å]	3.060	3.060
Rmerge	0.140	0.830
Number of reflections	45073	4435
<I/σ(I)>	11.16	2.33
Completeness [%]	99.3	99.57
Redundancy	5.2
CC(1/2)	0.994	0.686

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). Crystallization solution was 18-22% PEG 3350 and 150-200 mM potassium acetate. Crystals were cryo-protected by soaking in a solution containing the mother liquor supplemented with 20% glycerol