5LUM

Alpha-crystallin domain of human HSPB6 patched with its N-terminal peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-12
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9801
Spacegroup name	P 31 2 1
Unit cell lengths	105.687, 105.687, 111.950
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.610 - 2.600
R-factor	0.208
Rwork	0.207
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jut
RMSD bond length	0.010
RMSD bond angle	1.270
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	BUSTER-TNT (2.10.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.000		2.670
High resolution limit [Å]	2.600	11.630	2.600
Rmerge	0.088	0.029	2.686
Number of reflections	22684
<I/σ(I)>	18.22	63.51	0.89
Completeness [%]	100.0	98.7	99.9
Redundancy	11.3
CC(1/2)	0.999	0.999	0.514

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M Tris-HCl (pH6.5),1.5M ammonium sulfate, 0.1M NaCl