2CCS

HUMAN HSP90 WITH 4-CHLORO-6-(4-PIPERAZIN-1-YL-1H-PYRAZOL-3-YL)- BENZENE-1,2-DIOL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Spacegroup name	I 2 2 2
Unit cell lengths	64.978, 88.406, 99.974
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.940 - 1.790
R-factor	0.229
Rwork	0.227
R-free	0.27700
Structure solution method	OTHER
RMSD bond length	0.026
RMSD bond angle	2.092
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]	1.800
Rmerge	0.060
Number of reflections	24575
Completeness [%]	94.8
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		pH 6.50