2CCU

HUMAN HSP90 WITH 4-CHLORO-6-(4-(4-(4-METHANESULPHONYL-BENZYL)- PIERAZIN-1-YL)-1H-PYRAZOL-3-YL)-BENZENE-1,3-DIOL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU IMAGE PLATE
Spacegroup name	I 2 2 2
Unit cell lengths	65.468, 88.866, 99.516
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.700
R-factor	0.241
Rwork	0.237
R-free	0.31300
Structure solution method	OTHER
RMSD bond length	0.021
RMSD bond angle	2.183
Data reduction software	d*TREK
Data scaling software	d*TREK
Refinement software	REFMAC (5.1.19)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.700
Rmerge	0.110
Number of reflections	7729
<I/σ(I)>	5.8
Completeness [%]	98.0
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		pH 6.50