4LWE

Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	I 2 2 2
Unit cell lengths	67.000, 90.366, 97.646
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.500 - 1.500
R-factor	0.1872
Rwork	0.187
R-free	0.19470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t0z
RMSD bond length	0.006
RMSD bond angle	1.031
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.6.2_432))

Data quality characteristics

	Overall
Low resolution limit [Å]	33.500
High resolution limit [Å]	1.500
Rmerge	0.062
Number of reflections	47679
<I/σ(I)>	45.676
Completeness [%]	99.7
Redundancy	14.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.1M Sodium cacodylate 6.5, 0.2M Mgcl2, 20-25% PEG2000 MME, VAPOR DIFFUSION, HANGING DROP, temperature 277K