5LU1

Human 14-3-3 sigma CLU3 mutant complexed with short HSPB6 phosphopeptide

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	CCD
Collection date	2015-06-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9801
Spacegroup name	P 1 21 1
Unit cell lengths	55.610, 104.010, 123.070
Unit cell angles	90.00, 93.89, 90.00

Refinement procedure

Resolution	47.890 - 2.400
R-factor	0.186
Rwork	0.184
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3iqj
RMSD bond length	0.010
RMSD bond angle	1.640
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	BUSTER-TNT (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.000		2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.099	0.032	1.533
Number of reflections	54513
<I/σ(I)>	8.61	25.94	0.9
Completeness [%]	99.6	96.6	99.9
Redundancy	3.7
CC(1/2)	0.997	0.997	0.311

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 M Bis-Tris propane (pH 6.5), 0.2 M NaNO3 and 20% PEG 3350