4ERM

Crystal structure of the dATP inhibited E. coli class Ia ribonucleotide reductase complex at 4 Angstroms resolution

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)	0.9794
Spacegroup name	C 1 2 1
Unit cell lengths	280.471, 155.744, 166.919
Unit cell angles	90.00, 119.07, 90.00

Refinement procedure

Resolution	30.000 - 3.950
Rwork	0.259
R-free	0.28400
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3uus
RMSD bond length	0.020
RMSD bond angle	0.740
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	4.090
High resolution limit [Å]	3.950	3.950
Number of reflections	53173
<I/σ(I)>	5	2.3
Completeness [%]	96.6	96.5
Redundancy	2.9	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	Precipitant conditions: 10% PEG 3350, 0.1 M MOPS pH 7.5, 0.2 M Magnesium Acetate, 0.025 M Magnesium Chloride, 0.006 M n-Nonyl-beta-D-maltopyranoside, and 5% glycerol. Mixed 1:1 with protein., VAPOR DIFFUSION, HANGING DROP, temperature 298K