5D5V

Crystal structure of human Hsf1 with Satellite III repeat 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	2015-05-15
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.87260
Spacegroup name	C 1 2 1
Unit cell lengths	104.813, 112.678, 39.865
Unit cell angles	90.00, 92.56, 90.00

Refinement procedure

Resolution	30.000 - 2.550
R-factor	0.1921
Rwork	0.190
R-free	0.23350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d5u
RMSD bond length	0.011
RMSD bond angle	1.397
Data reduction software	XDS
Data scaling software	Aimless (0.1.27)
Phasing software	MOLREP (11.0.05)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.830	39.830	2.660
High resolution limit [Å]	2.550	8.830	2.550
Rmerge	0.130	0.049	0.669
Rpim	0.069	0.025	0.375
Total number of observations	66855	1731	7483
Number of reflections	15087
<I/σ(I)>	9.3	25.5	2.2
Completeness [%]	99.6	98.9	97.2
Redundancy	4.4	4.6	4.1
CC(1/2)	0.994	0.997	0.676

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	31 % PEG-4000, 0.09 M Mg-acetate