6YPO

Arabidopsis aspartate transcarbamoylase bound to UMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	110
Detector technology	PIXEL
Collection date	2017-07-05
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9793
Spacegroup name	P 63
Unit cell lengths	104.541, 104.541, 127.790
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	90.540 - 1.670
R-factor	0.1518
Rwork	0.149
R-free	0.16790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g1n
RMSD bond length	0.005
RMSD bond angle	0.642
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.540	1.730
High resolution limit [Å]	1.670	1.670
Rmerge	0.105	1.396
Number of reflections	91035	9119
<I/σ(I)>	12.74	1.64
Completeness [%]	99.4	99.99
Redundancy	10.3	10
CC(1/2)	0.997	0.601

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		294	Protein at 5 mg/ml in buffer 20 mM Tris pH 7.0, 0.1 M NaCl, 2 % glycerol and 0.2 mM tris(2-carboxyethyl) phosphine (TCEP). Crystallization reservoir: 22 % PEG 3350, 0.1 M sodium sulfate, 0.1 M bis-tris pH 6.5