7T1B

Rev1 Ternary Complex with rCTP and Ca2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-17
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	62.193, 73.541, 117.674
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.630 - 1.750
R-factor	0.1848
Rwork	0.183
R-free	0.22810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wm1
RMSD bond length	0.009
RMSD bond angle	1.055
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.780
High resolution limit [Å]	1.750	1.750
Number of reflections	77480	2549
<I/σ(I)>	11.46
Completeness [%]	98.1
Redundancy	2.5
CC(1/2)	0.997	0.452

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	15-23% PEG3350, 200 mM ammonium nitrate