4JUS

Crystal structure of a fragment of Human HSPB6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	183.592, 31.176, 152.149
Unit cell angles	90.00, 116.08, 90.00

Refinement procedure

Resolution	30.633 - 2.500
R-factor	0.212
Rwork	0.209
R-free	0.26780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.077
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.633	30.633	2.640
High resolution limit [Å]	2.500	7.910	2.500
Rmerge		0.025	0.556
Rmeas		0.030	0.659
Rpim		0.017	0.350
Total number of observations		3018	13663
Number of reflections	27616
<I/σ(I)>	11.2	30	2.3
Completeness [%]	99.5	97.3	99.8
Redundancy	3.5	3.2	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1M HEPES (pH 7.5), 0.2M ammonium citrate, 21% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K