7RXZ

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	2015-12-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97922
Spacegroup name	P 1 21 1
Unit cell lengths	153.830, 87.987, 166.178
Unit cell angles	90.00, 114.36, 90.00

Refinement procedure

Resolution	48.090 - 3.152
R-factor	0.1927
Rwork	0.191
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q6m
RMSD bond length	0.012
RMSD bond angle	1.405
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	3.260
High resolution limit [Å]	3.150	6.780	3.150
Rmerge	0.132	0.073	0.811
Rmeas	0.158	0.088	0.973
Rpim	0.086	0.049	0.531
Total number of observations	231203
Number of reflections	70092	7186	6937
<I/σ(I)>	8.4
Completeness [%]	99.7	99.2	99.7
Redundancy	3.3	3.4	3.2
CC(1/2)		0.985	0.620

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M NaAc PH 6.0, 12 % PEG3350