8HIC

Crystal structure of UrtA from Prochlorococcus marinus str. MIT 9313 in complex with urea and calcium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 2
Unit cell lengths	119.700, 47.612, 71.642
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.820 - 1.600
R-factor	0.1608
Rwork	0.159
R-free	0.18910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pea
RMSD bond length	0.005
RMSD bond angle	0.830
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.090	0.426
Rmeas	0.100	0.471
Rpim	0.042	0.196
Number of reflections	836660	836660
<I/σ(I)>	17.99
Completeness [%]	99.0
Redundancy	5.1
CC(1/2)	0.994	0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	291	0.16 M calcium chloride, 0.1 M sodium acetate (pH 4.8), 16% (w/v) polyethylene glycol (PEG) 6000