3HNC

Crystal structure of human ribonucleotide reductase 1 bound to the effector TTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9000
Spacegroup name	P 21 21 21
Unit cell lengths	68.980, 114.104, 219.283
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.530 - 2.410
R-factor	0.188
Rwork	0.186
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.231
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.091	0.037	0.566
Number of reflections	75994
<I/σ(I)>	13.144
Completeness [%]	97.8	94.5	95.9
Redundancy	3.4	3.7	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	298	0.1 M Tris-HCl pH 7.9, 0.2 M LiSO4, 19% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K