3B26

Hsp90 alpha N-terminal domain in complex with an inhibitor Ro1127850

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU ULTRAX 18
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-07-18
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	64.223, 88.704, 98.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.060 - 2.100
R-factor	0.1602
Rwork	0.158
R-free	0.20460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.090
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.110	0.063	0.391
Rmeas	0.110
Number of reflections	32949
<I/σ(I)>	8.8
Completeness [%]	97.9	98.9	84.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	24%(w/v) PEG3350, 0.3M MgCl2, 0.1M Tris-Cl, pH 8.0, vapor diffusion, hanging drop, temperature 277K