7S90

Cryogenic Human Hsp90a-NTD bound to adenine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	I 2 2 2
Unit cell lengths	65.183, 88.451, 100.329
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.260 - 1.790
R-factor	0.1804
Rwork	0.178
R-free	0.21410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yer
RMSD bond length	0.009
RMSD bond angle	1.057
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19rc5_4047)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.260	1.850
High resolution limit [Å]	1.790	1.790
Rmerge	0.064	0.833
Number of reflections	26872	2615
<I/σ(I)>	9.27
Completeness [%]	94.1
Redundancy	2.8
CC(1/2)	0.996	0.531

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	1.8 Malic acid, pH 7