7OQX

Crystal structure of a psychrophilic CCA-adding enzyme in complex with CMPcPP

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	2020-10-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9786
Spacegroup name	P 43 21 2
Unit cell lengths	69.800, 69.800, 290.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.740 - 2.200
R-factor	0.2073
Rwork	0.205
R-free	0.24240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qxn
RMSD bond length	0.008
RMSD bond angle	0.930
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	2.340
High resolution limit [Å]	2.200	2.200
Rmeas	0.150	1.616
Number of reflections	37711	5903
<I/σ(I)>	16.84	1.98
Completeness [%]	99.8	99.3
Redundancy	25.7	27.1
CC(1/2)	0.990	0.786

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 remarks : soaking 30 seconds in a drop with 10 mM CMPcPP and reservoir solution + 20% glycerol