5LTW

Complex of human 14-3-3 sigma CLU1 mutant with phosphorylated heat shock protein B6

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	2015-07-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9801
Spacegroup name	C 2 2 21
Unit cell lengths	125.060, 341.290, 144.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.170 - 4.500
R-factor	0.237
Rwork	0.236
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3iqj
RMSD bond length	0.008
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.200		4.620
High resolution limit [Å]	4.500	20.130	4.500
Rmerge	0.314	0.066	2.087
Number of reflections	18727
<I/σ(I)>	5.76	22.17	1.08
Completeness [%]	99.6	85	99.9
Redundancy	8.1
CC(1/2)	0.993	0.998	0.337

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	0.1 M HEPES (pH 7.5), 0.2 M LiCl, 17% PEG 6000 and 2 mM DTT