2RJV

Crystal structure of the H41Y mutant of villin headpiece, P 21 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	2004-06-01
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	31.364, 36.995, 54.331
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.440 - 1.450
R-factor	0.18
Rwork	0.180
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID: 1YU5
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.500
High resolution limit [Å]	1.450	1.450
Number of reflections	11642
<I/σ(I)>	36.0579	6.877
Completeness [%]	98.6	95.4
Redundancy	4.6	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	PEG8000, pH 6.50, VAPOR DIFFUSION, HANGING DROP, temperature 298K