6KSQ

Middle Domain of Human HSP90 Alpha

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	36.072, 38.968, 108.029
Unit cell angles	90.00, 95.31, 90.00

Refinement procedure

Resolution	36.638 - 2.202
R-factor	0.1848
Rwork	0.182
R-free	0.23160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hk7
RMSD bond length	0.008
RMSD bond angle	0.867
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.184	0.153	0.860
Rmeas	0.201	0.166	0.945
Rpim	0.078	0.064	0.387
Total number of observations	90998
Number of reflections	14524	695	732
<I/σ(I)>	8.5
Completeness [%]	94.5	84.3	97.2
Redundancy	6.3	6.7	5.8
CC(1/2)		0.977	0.444

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.5 M (NH4)2SO4, 5% Glycerol, 29.5% PEG 3350, PH 8.5