3RSR

Crystal Structure of 5-NITP Inhibition of Yeast Ribonucleotide Reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-BM-B
Synchrotron site	APS
Beamline	23-BM-B
Detector technology	CCD
Collection date	2010-04-25
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	108.353, 118.208, 63.921
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.969 - 2.300
R-factor	0.1882
Rwork	0.188
R-free	0.23250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.303
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.300	2.300
Number of reflections	37089
Completeness [%]	99.9	99
Redundancy		5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	10 mg/mL protein, 0.1 M sodium acetate at pH 6.5, 25% PEG 3350, 0.2 M ammonium sulfate , VAPOR DIFFUSION, HANGING DROP, temperature 298K