5H22

Hsp90 alpha N-terminal domain in complex with an inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97951
Spacegroup name	I 2 2 2
Unit cell lengths	66.787, 90.581, 98.943
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.870 - 1.499
R-factor	0.1947
Rwork	0.194
R-free	0.20770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uy6
RMSD bond length	0.005
RMSD bond angle	0.828
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.499	1.500
Rmerge	0.076	0.340
Number of reflections	48302
<I/σ(I)>	27.5
Completeness [%]	99.2
Redundancy	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	1.0M ammonium Sulfate, 0.1M Tris-HCl (pH8.5)