5NNQ

Aspartate transcarbamoylase 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	2015-07-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.919760
Spacegroup name	P 43 3 2
Unit cell lengths	138.638, 138.638, 138.638
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.016 - 2.260
R-factor	0.1997
Rwork	0.197
R-free	0.24350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g1n
RMSD bond length	0.014
RMSD bond angle	1.291
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.280	1.862
High resolution limit [Å]	1.797	1.797
Rmerge	0.174	11.390
Rpim	0.028	1.829
Number of reflections	43537	4235
<I/σ(I)>	22.3	0.58
Completeness [%]	99.7	96.91
Redundancy	39.1	38.7
CC(1/2)	1.000	0.209

Crystallization Conditions

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