8CRV

Crystal Structure of the Carbamate Kinase from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-15
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97918
Spacegroup name	P 43 21 2
Unit cell lengths	56.560, 56.560, 250.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.990 - 1.600
R-factor	0.1821
Rwork	0.181
R-free	0.19640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	swiss pro
RMSD bond length	0.005
RMSD bond angle	0.806
Data reduction software	HKL-3000
Data scaling software	xia2
Phasing software	HKL-3000
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.820	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.097	1.469
Rmeas	0.100	1.566
Rpim	0.022	0.533
Number of reflections	55145	2654
<I/σ(I)>	18.8	1.5
Completeness [%]	99.9	98.9
Redundancy	19.1	8.1
CC(1/2)	0.999	0.623

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	2.0 M ammonium sulfate, 0.1 M Hepes pH 7.5, 2 %(v/v) PEG400