6IBP

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	293
Detector technology	PIXEL
Collection date	2016-12-09
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000
Spacegroup name	P 43 21 2
Unit cell lengths	71.500, 71.500, 293.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.397 - 2.536
R-factor	0.1893
Rwork	0.188
R-free	0.21440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1miv
RMSD bond length	0.009
RMSD bond angle	0.963
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]	46.000	2.600
High resolution limit [Å]	2.536	2.536
Rmerge	0.176	1.160
Rmeas	0.189	1.260
Number of reflections	23922	1598
<I/σ(I)>	8.1
Completeness [%]	90.6	84.6
Redundancy	7.5	6
CC(1/2)	0.987	0.550

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.