8VHN

Crystal Structure of E. coli class Ia ribonucleotide reductase alpha subunit bound to two ATP molecules

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	2011-02-25
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97936
Spacegroup name	P 43 21 2
Unit cell lengths	118.991, 118.991, 290.879
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.852 - 2.620
R-factor	0.1681
Rwork	0.166
R-free	0.20860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7RO8
RMSD bond length	0.007
RMSD bond angle	0.853
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	2.670
High resolution limit [Å]	2.620	7.110	2.620
Rmerge	0.107	0.048	0.772
Rmeas	0.115	0.052	0.831
Rpim	0.041	0.018	0.300
Total number of observations	458752
Number of reflections	63413	3374	3146
<I/σ(I)>	8.1
Completeness [%]	99.4	95.9	99.5
Redundancy	7.2	6.7	7.1
CC(1/2)		0.998	0.756

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	8.0% (w/vol)PEG3350, 80 mM HEPES pH 7.3, 280 mM magnesium chloride, 4% (vol/vol) glycerol, 1.0% CYMAL-1 detergent