7OTR

Crystal structure of a psychrophilic CCA-adding enzyme determined by SAD phasing

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	2017-02-28
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	2.0751
Spacegroup name	P 43 21 2
Unit cell lengths	69.790, 69.790, 291.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.350 - 2.250
R-factor	0.189
Rwork	0.188
R-free	0.20780
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.964
Data reduction software	XDS (20200417)
Data scaling software	XSCALE (20200417)
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.310
High resolution limit [Å]	2.250	2.250
Rmeas	0.170	3.110
Number of reflections	64470	4607
<I/σ(I)>	30.7
Completeness [%]	99.0	96.2
Redundancy	78	25
CC(1/2)	0.999	0.425

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	protein solution at 4.5 mg/mL in 50 mM Tris-HCl pH 7.5, 200 mM NaCl, 5 mM MgCl2; reservoir solution: 100 mM Sodium acetate; pH 4.5 1 M di-Ammonium hydrogen phosphate