3HYZ

Crystal structure of Hsp90 with fragment 42-C03

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.542
Spacegroup name	P 21 21 2
Unit cell lengths	64.490, 89.250, 98.956
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.100 - 2.300
R-factor	0.23992
Rwork	0.236
R-free	0.30493
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	in-house Hsp90 model
RMSD bond length	0.015
RMSD bond angle	1.637
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.300	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.150	0.520
Number of reflections	25956
<I/σ(I)>	5	2
Completeness [%]	99.5	100
Redundancy	4.56	4.52

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.2M Magnesium chloride, 0.1M sodium cacodylate, 19-23% PEG2000 MME, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K