8VHO

Crystal Structure of E. coli class Ia ribonucleotide reductase alpha subunit bound to dATP

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	CCD
Collection date	2010-10-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97931
Spacegroup name	P 43 21 2
Unit cell lengths	118.513, 118.513, 290.295
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.785 - 2.548
R-factor	0.1667
Rwork	0.165
R-free	0.20460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3r1r
RMSD bond length	0.002
RMSD bond angle	0.660
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.548	6.920	2.550
Rmerge	0.083	0.020	0.830
Rmeas	0.093	0.023	0.930
Rpim	0.042	0.011	0.416
Number of reflections	68422	3743	3341
<I/σ(I)>	9.7
Completeness [%]	99.9	99	100
Redundancy	4.8	4.5	4.9
CC(1/2)		1.000	0.694

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	6.8% (w/vol) PEG3350, 80mM HEPES pH7.3, 280mM MgCl2, 4% (vol/vol) glycerol, and 1.0% CYMAL-1 detergent