2RJY

Crystal structure of villin headpiece, P21 21 21 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	2004-06-10
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	31.212, 37.780, 53.147
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	13.460 - 1.400
R-factor	0.209
Rwork	0.209
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	CRYSTAL STRUCTURE OF HP67 PDB ID: 1YU5
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.450
High resolution limit [Å]	1.400	1.400
Number of reflections	12685
<I/σ(I)>	34.3	5.6
Completeness [%]	97.7	92.5
Redundancy	6.1	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	PEG 8000, pH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 298K