6U9A

Hsp90a NTD K58R bound reversibly to sulfonyl fluoride 5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-05
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.11583
Spacegroup name	I 2 2 2
Unit cell lengths	66.694, 92.742, 100.069
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.500 - 1.650
R-factor	0.1898
Rwork	0.188
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fwz
RMSD bond length	0.009
RMSD bond angle	1.277
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.500	1.709
High resolution limit [Å]	1.650	1.650
Rmerge	0.036	0.524
Number of reflections	36931	3691
<I/σ(I)>	8.36	1.09
Completeness [%]	96.0	99.41
Redundancy	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% PEG-3350, 0.2 M MgCl2, 0.1 M sodium acetate, pH 5.8