2F4K

Chicken villin subdomain HP-35, K65(NLE), N68H, K70(NLE), PH9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	2005-07-26
Detector	RIGAKU RAXIS IV
Spacegroup name	C 2 2 21
Unit cell lengths	19.677, 39.901, 75.089
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.050
R-factor	0.14
R-free	0.16600
Structure solution method	AB INITIO
Starting model (for MR)	1WY3 WITHOUT SOLVENT
RMSD bond length	0.015
RMSD bond angle	0.033
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.090
High resolution limit [Å]	1.050	1.050
Rmerge	0.086	0.401
Number of reflections	13770
<I/σ(I)>	22.5	3
Completeness [%]	96.3	74.3
Redundancy	7.7	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				Initial drop contained 1ul 90mg/ml protein in 10mM Tris (pH7.4) and 7.5% v/v trifluoroethanol (TFE) and 1ul reservoir solution. Precipitant in reservoir was (initial: 800mM AmSO4, 100mM Bicine (pH 9.0), 10% v/v TFE) and (final: 1.6M AmSO4, 100mM Bicine (pH 9.0), 7.5% v/v TFE). Reservoir solution was changed from initial to final after one week.
1				Initial drop contained 1ul 90mg/ml protein in 10mM Tris (pH7.4) and 7.5% v/v trifluoroethanol (TFE) and 1ul reservoir solution. Precipitant in reservoir was (initial: 800mM AmSO4, 100mM Bicine (pH 9.0), 10% v/v TFE) and (final: 1.6M AmSO4, 100mM Bicine (pH 9.0), 7.5% v/v TFE). Reservoir solution was changed from initial to final after one week.