9NS2

Structure of S. pombe CC-Adding Enzyme in complex with Pyrophosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9184
Spacegroup name	C 1 2 1
Unit cell lengths	78.865, 69.736, 118.659
Unit cell angles	90.00, 96.56, 90.00

Refinement procedure

Resolution	32.580 - 1.950
R-factor	0.1866
Rwork	0.185
R-free	0.23040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.829
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.030	2.070
High resolution limit [Å]	1.950	1.950
Number of reflections	46482	25446
<I/σ(I)>	15.2	1.71
Completeness [%]	99.2	96
Redundancy	3.77	3.53
CC(1/2)	0.999	0.748

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	Protein solution (6.5 mg/ml in 20 mM Tris pH 7.5, 50 mM NaCl, 2mM CTP, 5mM magnesium chloride) was mixed 1.5:1 with well solution (11% w/v PEG 8000, 100 mM HEPES pH 7.5, 7% v/v ethylene glycol). Cyro condition was well solution with 15% glycerol added