6YWJ

Arabidopsis aspartate transcarbamoylase mutant F161A complex with UMP

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 63
Unit cell lengths	104.343, 104.343, 127.845
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.304 - 2.400
Rwork	0.138
R-free	0.19030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ypo
RMSD bond length	0.011
RMSD bond angle	1.784
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]	48.304	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.194	1.255
Number of reflections	30917	3526
<I/σ(I)>	8.5	2
Completeness [%]	100.0
Redundancy	10
CC(1/2)	0.992	0.629

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 5 mM UMP. Crystallization solution: 18-22 % PEG3350, 0.1 M Na2SO4 and 0.1 M bis-tris pH 6.5 Crystals were cryo-protected by soaking in a solution containing the mother liquor supplemented with 20% glycerol and the 5 mM UMP.