1USU

The Structure of the complex between Aha1 and HSP90

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-11-15
Detector	ADSC CCD
Spacegroup name	P 1 21 1
Unit cell lengths	58.940, 37.920, 111.260
Unit cell angles	90.00, 98.40, 90.00

Refinement procedure

Resolution	100.000 * - 2.150
R-factor	0.213
Rwork	0.213
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hk7
RMSD bond length	0.016
RMSD bond angle	1.740 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.270
High resolution limit [Å]	2.150	2.150
Rmerge	0.062	0.302 *
Number of reflections	26832
<I/σ(I)>	6.6	3.2
Completeness [%]	99.1 *	99 *
Redundancy	3.6 *	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	6.5	19 *	CRYSTALS GREW FROM A MIXTURE OF MIDDLE DOMAIN HSP90 AND N- TERMINAL AHA1 AT A FINAL CONCENTRATION OF 110 UM AND 165 UM, RESPECTIVELY, IN A SOLUTION CONTAINING 90 MM AMMONIUM SULPHATE, 13.5% (W/V) PEG8K AND 45 MM SODIUM CACODYLATE PH 6.5 IN UNDER-OIL MICROBATCH EXPERIMENTS AT 19C.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	ammonium sulfate	90 (mM)
2	1	1	PEG8000	13.5 (%(w/v))
3	1	1	sodium cacodylate	45 (mM)	pH6.5
4	1	1	Tris	20 (mM)	pH7.5
5	1	1		150 (mM)
6	1	1	EDTA	1 (mM)
7	1	1	dithiothreitol	0.5 (mM)