6YSP

Arabidopsis aspartate transcarbamoylase complex with PALA and carbamoyl phosphate

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	2018-05-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97924
Spacegroup name	P 21 21 21
Unit cell lengths	86.484, 94.570, 131.839
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.840 - 1.380
R-factor	0.146
Rwork	0.145
R-free	0.16760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ypo
RMSD bond length	0.009
RMSD bond angle	1.095
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]	76.840	1.430
High resolution limit [Å]	1.380	1.380
Rmerge	0.100	1.154
Number of reflections	221343	21917
<I/σ(I)>	10.71	1.35
Completeness [%]	100.0	99.98
Redundancy	6.7	6.6
CC(1/2)	0.994	0.512

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		294	Protein at 5 mg/ml in 20 mM Tris pH 7.0, 0.1 M NaCl, 2% glycerol, 0.2 mM tris(2-carboxyethyl) phosphine (TCEP) and 2 mM PALA Crystallization condition: 25% PEG3350, 0.2 M Li2SO4 and 0.1 M bis-tris pH 5.5. Crystals soaked in mother liquor plus 2 mM PALA and 10 mM carbamoyl phosphate with increasing glycerol concentration (up to 20%) prior to freezing