5LNL

Crystal structure of Hsf 1608-1749 putative domain 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97961
Spacegroup name	C 1 2 1
Unit cell lengths	128.438, 50.400, 256.796
Unit cell angles	90.00, 101.94, 90.00

Refinement procedure

Resolution	29.600 - 3.300
Rwork	0.296
R-free	0.33380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3emi
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.600	29.600	3.530
High resolution limit [Å]	3.300	9.330	3.300
Rmerge	0.333	0.044	1.114
Rmeas	0.441
Rpim	0.286
Total number of observations	50038
Number of reflections	24219
<I/σ(I)>	2.7
Completeness [%]	97.7	94.1	97.8
Redundancy	2.1	1.9	2.1
CC(1/2)	0.962	0.995	0.490

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.9	293	0.75 M LiCl, 0.1 M Sodium citrate buffer pH 3.9, 17.6 % (w/v) PEG6000