2CCT

HUMAN HSP90 WITH 5-(5-CHLORO-2,4-DIHYDROXY-PHENYL)-4-PIPERAZIN-1-YL- 2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYLAMIDE

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	65.646, 88.409, 99.574
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.940 - 2.300
R-factor	0.213
Rwork	0.209
R-free	0.29900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.024
RMSD bond angle	2.130
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]	2.300
Rmerge	0.080
Number of reflections	12167
<I/σ(I)>	3.1
Completeness [%]	96.8
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		pH 6.50