5D5U

Crystal structure of human Hsf1 with HSE DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-09-24
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.87260
Spacegroup name	P 2 21 21
Unit cell lengths	37.436, 39.820, 94.384
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.910
R-factor	0.2247
Rwork	0.223
R-free	0.26730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d5w
RMSD bond length	0.005
RMSD bond angle	0.883
Data reduction software	XDS
Data scaling software	Aimless (0.1.27)
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.190	47.190	3.090
High resolution limit [Å]	2.910	8.730	2.910
Rmerge	0.138	0.047	0.821
Rpim	0.069	0.024	0.403
Total number of observations	16032	670	2156
Number of reflections	3303
<I/σ(I)>	9	21.6	2.1
Completeness [%]	96.9	98.7	82.7
Redundancy	4.9	4.2	4.8
CC(1/2)	0.994	0.998	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	21 % PEG-3350, 0.2 M (NH4)2_SO4