7OTL

Structure of a psychrophilic CCA-adding enzyme crystallized by counter-diffusion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-26
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000
Spacegroup name	P 43 21 2
Unit cell lengths	70.000, 70.000, 292.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.880 - 2.800
R-factor	0.2243
Rwork	0.223
R-free	0.25780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qxn
RMSD bond length	0.009
RMSD bond angle	1.053
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmeas	0.258	2.040
Number of reflections	18615	1819
<I/σ(I)>	21.3	3.1
Completeness [%]	98.6	100
Redundancy	55.7	57.5
CC(1/2)	0.999	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	5	293	Protein solution at 4.5 mg/mL in 50 mM Tris-HCl pH 7.5, 200 mM NaCl, 5 mM MgCl2; Crystals were obtained in capillaries filled with protein solution and sealed at one extremity and plunged in 3 M ammonium sulfate, 0.1 M sodium acetate pH 5.