7HAX

PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13909

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-22
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	I 2 2 2
Unit cell lengths	66.954, 91.341, 99.883
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.290 - 2.290
R-factor	0.1838
Rwork	0.182
R-free	0.22190
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.002
RMSD bond angle	0.484
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	DIMPLE
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.410	67.410	2.410
High resolution limit [Å]	2.290	7.230	2.290
Rmerge	0.086	0.047	0.213
Rmeas	0.091	0.050	0.223
Rpim	0.028	0.015	0.065
Total number of observations	159342	5211	24475
Number of reflections	14119	501	2031
<I/σ(I)>	22.2	33.4	12.7
Completeness [%]	99.4	98.5	99.7
Redundancy	11.3	10.4	12.1
CC(1/2)	0.996	0.998	0.989

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	100mM Tris-HCl pH 8.5, 22% PEG4000, 200mM MgCl2