5J2X

Crystal Structure of Hsp90-alpha N-domain in complex with 5-(5-Bromo-2,4-dihydroxy-phenyl)-4-(2-fluoro-phenyl)-2,4-dihydro-[1,2,4]triazol-3-one

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	200
Detector technology	PIXEL
Collection date	2015-09-15
Detector	DECTRIS PILATUS3 X 1M
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	66.359, 89.188, 99.864
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.590 - 1.220
R-factor	0.199
Rwork	0.199
R-free	0.20600
RMSD bond length	0.010
RMSD bond angle	1.070
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	BUSTER (2.11.6)

Data quality characteristics

	Overall
Low resolution limit [Å]	44.590
High resolution limit [Å]	1.220
Number of reflections	86757
<I/σ(I)>	14.48
Completeness [%]	97.6
Redundancy	6.36

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	0.2 M sodium fluoride, 0.1 M Bis Tris propane pH 8.5, 20 % w/v PEG 3350