6Q52

Structure of a psychrophilic CCA-adding enzyme in complex with CMPcPP at room temperature in ChipX microfluidic device

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	293
Detector technology	PIXEL
Collection date	2016-03-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	P 43 21 2
Unit cell lengths	71.450, 71.450, 293.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.770 - 2.300
R-factor	0.2012
Rwork	0.200
R-free	0.22930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1miv
RMSD bond length	0.009
RMSD bond angle	0.979
Data reduction software	XDS (20180808)
Data scaling software	XSCALE (20180808)
Phasing software	PHENIX ((1.13_2998))
Refinement software	PHENIX ((1.13_2998))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.770	2.400
High resolution limit [Å]	2.300	2.300
Rmeas	0.180	2.312
Number of reflections	34862	4066
<I/σ(I)>	6.9
Completeness [%]	99.5	100
Redundancy	6.7	8.1
CC(1/2)	0.987	0.469

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	7.5	293	protein solution at 5.5 mg/mL in 50 mM Tris-HCl pH 7.5, 200 mM NaCl, 5 mM MgCl2; reservoir solution: 30% (m/v) PEG3350, 200 mM ammonium chloride pH 6.6. Crystallization and crystallographic analysis were performed using the ChipX microfluidic device.