8BPS

Aspartate transcarbamoylase mutant (N2045C, R2238C) from Chaetomium thermophilum CAD-like in apo form

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	138.829, 138.829, 138.829
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.080 - 2.030
R-factor	0.1683
Rwork	0.166
R-free	0.20460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nnn
RMSD bond length	0.011
RMSD bond angle	0.998
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.080	2.100
High resolution limit [Å]	2.030	2.030
Number of reflections	325801	30416
<I/σ(I)>	19.9	1.7
Completeness [%]	100.0	100
Redundancy	10.8	10.5
CC(1/2)	1.000	0.704

Crystallization Conditions

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