6U99

Hsp90a NTD covalently bound to sulfonyl fluoride probe 1 at K58

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	2016-12-02
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.11583
Spacegroup name	I 2 2 2
Unit cell lengths	66.700, 91.530, 98.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.290 - 1.600
R-factor	0.179
Rwork	0.178
R-free	0.20380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fwz
RMSD bond length	0.006
RMSD bond angle	1.141
Data scaling software	Aimless
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.290	1.657
High resolution limit [Å]	1.600	1.600
Rmerge	0.032	0.183
Number of reflections	40255	3952
<I/σ(I)>	42.72	9.78
Completeness [%]	99.7
Redundancy	6.6

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 5.6