7DMC

Dipyridamole binds to the N-terminal domain of human Hsp90A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97852
Spacegroup name	I 2 2 2
Unit cell lengths	70.489, 89.937, 99.067
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.950 - 2.340
R-factor	0.2051
Rwork	0.203
R-free	0.24380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t0h
RMSD bond length	0.010
RMSD bond angle	1.652
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.950	2.420
High resolution limit [Å]	2.340	2.340
Rmerge	0.010	0.063
Rmeas	0.013	0.089
Rpim		0.063
Number of reflections	13286	1344
<I/σ(I)>	32.05
Completeness [%]	97.4
Redundancy	2
CC(1/2)	1.000	0.988

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M Tris pH8.7, 0.2M MgCl2, 22% PEG3350