6GP3

Ribonucleotide Reductase class Ie R2 from Mesoplasma florum, inactive form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96859
Spacegroup name	C 1 2 1
Unit cell lengths	176.193, 53.425, 79.133
Unit cell angles	90.00, 108.53, 90.00

Refinement procedure

Resolution	42.710 - 1.230
Rwork	0.147
R-free	0.16300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dhz
RMSD bond length	0.005
RMSD bond angle	0.776
Data reduction software	XDS (VERSION Jan 26, 2018)
Data scaling software	XDS (VERSION Jan 26, 2018)
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: 000))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.710	1.273
High resolution limit [Å]	1.229	1.229
Rmerge	0.054	1.092
Rmeas	0.058	1.197
Rpim	0.023	0.484
Number of reflections	200401	19641
<I/σ(I)>	15.13	1.35
Completeness [%]	98.9	97.28
Redundancy	6.4	6
CC(1/2)	0.999	0.661

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	100-200 mM calcium acetate, 100 mM ammonium sulfate, 15-20% PEG 3350