5MXO

Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide stabilized by Fusicoccin-A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-29
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97793
Spacegroup name	C 2 2 21
Unit cell lengths	82.688, 111.560, 62.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.593 - 1.200
R-factor	0.1547
Rwork	0.154
R-free	0.18230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lw1
RMSD bond length	0.018
RMSD bond angle	1.649
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.29)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.593	45.590	1.220
High resolution limit [Å]	1.200	6.570	1.200
Rmerge	0.059	0.048	1.434
Rmeas	0.061	0.050	1.506
Rpim	0.017	0.014	0.453
Number of reflections	90414
<I/σ(I)>	18.7
Completeness [%]	99.9	99.8	99
Redundancy	12.1	13	10.8
CC(1/2)	0.999	0.995	0.515

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.095 M HEPES, pH 7.1, 29% PEG 400, 0.19 M CaCl2, 5% glycerol