8VHQ

Crystal structure of E. coli class Ia ribonucleotide reductase alpha subunit W28A variant bound to dATP and ATP

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	2013-08-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979183
Spacegroup name	P 21 21 21
Unit cell lengths	112.695, 139.929, 300.766
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.618 - 3.400
R-factor	0.2057
Rwork	0.204
R-free	0.23270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7RO9
RMSD bond length	0.002
RMSD bond angle	0.505
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	3.520
High resolution limit [Å]	3.400	7.320	3.400
Rmerge	0.094	0.043	0.792
Rmeas	0.109	0.050	0.926
Rpim	0.054	0.025	0.470
Total number of observations	249742
Number of reflections	65872	6763	6366
<I/σ(I)>	5.4
Completeness [%]	98.8	96.1	97.1
Redundancy	3.8	3.8	3.6
CC(1/2)		0.997	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	6.5-7.0% (w/vol) PEG3350, 0.1M HEPES 7.0, 0.35M MgSO4, 5% (vol/vol) glycerol.