7RY1

human Hsp90_MC domain structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97951
Spacegroup name	C 2 2 21
Unit cell lengths	159.850, 311.964, 88.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.421 - 3.523
R-factor	0.2204
Rwork	0.216
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q6m
RMSD bond length	0.004
RMSD bond angle	0.806
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.630
High resolution limit [Å]	3.500	7.530	3.500
Rmerge	0.148	0.055	1.366
Rmeas	0.161	0.060	1.487
Rpim	0.063	0.023	0.581
Total number of observations	176259
Number of reflections	27438	2902	2708
<I/σ(I)>	3.9
Completeness [%]	99.9	99.8	100
Redundancy	6.4	6.1	6.4
CC(1/2)		0.998	0.536

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Succinic acid PH 6.5, 12% PEG3350, 20mM CaCl2