5CI2

Ribonucleotide reductase Y122 2,3,6-F3Y variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-12
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.97950
Spacegroup name	P 61 2 2
Unit cell lengths	91.420, 91.420, 206.607
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.631 - 2.250
R-factor	0.1731
Rwork	0.172
R-free	0.19660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2alx
RMSD bond length	0.005
RMSD bond angle	0.738
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.290
High resolution limit [Å]	2.250	2.250
Rmerge	0.063
Number of reflections	25083
<I/σ(I)>	25.6	1
Completeness [%]	99.7	95.8
Redundancy	9.1	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	293	1.1 M (NH4)2SO4, 0.9-1.2 M KCl, and 0.1 M Tris pH 8.0; 1:1 protein to precipitant; crystals grow over 1-3 days