6QXN

Crystal structure of the CCA-adding enzyme of a psychrophilic organism in complex with CTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	70.380, 70.380, 291.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.056 - 1.849
R-factor	0.2028
Rwork	0.202
R-free	0.21870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1miv
RMSD bond length	0.008
RMSD bond angle	0.979
Data reduction software	XDS (20160617)
Data scaling software	XSCALE (20160617)
Phasing software	PHENIX (1.13_2998)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.960
High resolution limit [Å]	1.849	1.849
Rmeas	0.069	2.394
Number of reflections	63935	10060
<I/σ(I)>	22.11	0.95
Completeness [%]	99.8	99.2
Redundancy	12.2	12.3
CC(1/2)	1.000	0.451

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	protein solution at 4.5 mg/mL in50 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 remarks : soaking 30 seconds in a drop with 5 mM CTP and reservoir solution + 18% glycerol