3B24

Hsp90 alpha N-terminal domain in complex with an aminotriazine fragment molecule

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2003-06-29
Detector	ADSC QUANTUM 210
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	64.193, 88.510, 98.523
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.890 - 1.700
R-factor	0.1625
Rwork	0.161
R-free	0.18800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.040
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]	50.000	50.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.099	0.075	0.371
Rmeas	0.099
Number of reflections	62785
<I/σ(I)>	10.3
Completeness [%]	99.7	99.5	99.4
Redundancy	7.6	7.8	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	27%(w/v) PEG 3350, 0.3M MgCl2, 0.1M Tris-Cl, pH 8.0, vapor diffusion, hanging drop, temperature 277K