6X71

Rev1 Mg2+-facilitated Intermediate complex with reactant dCTP and product dCMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-28
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	62.269, 73.713, 117.221
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.630 - 1.780
R-factor	0.186
Rwork	0.184
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wm1
RMSD bond length	0.008
RMSD bond angle	0.989
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.830	1.970
High resolution limit [Å]	1.780	1.780
Rmeas	0.104
Number of reflections	95877	23330
<I/σ(I)>	15.3
Completeness [%]	99.4
Redundancy	4.2
CC(1/2)		0.494

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	15-23% PEG3350 and 200 mM ammonium nitrate