8BPL

Aspartate transcarbamoylase mutant (N2045C, R2238C) from Chaetomium thermophilum CAD-like bound to 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	2019-10-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 43 3 2
Unit cell lengths	139.410, 139.410, 139.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.290 - 1.580
R-factor	0.1375
Rwork	0.136
R-free	0.17060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nnq
RMSD bond length	0.013
RMSD bond angle	1.335
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.290	1.640
High resolution limit [Å]	1.580	1.580
Number of reflections	900158	78877
<I/σ(I)>	19.8	1.1
Completeness [%]	99.7	96.8
Redundancy	14.2	1.1
CC(1/2)	1.000	0.450

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	0.8 M succinic acid pH 7.0 cocrystallized with carbamoyl phosphate