5MHC

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0332
Spacegroup name	C 2 2 21
Unit cell lengths	82.114, 112.047, 62.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.440 - 1.200
R-factor	0.1506
Rwork	0.150
R-free	0.16520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lw1
RMSD bond length	0.005
RMSD bond angle	0.849
Data reduction software	iMOSFLM (7.2.1)
Data scaling software	Aimless (0.5.28)
Phasing software	PHASER (1.10.1_2155)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.440	45.440	1.220
High resolution limit [Å]	1.200	6.570	1.200
Rmerge	0.053	0.044	1.006
Number of reflections	90016
<I/σ(I)>	22.9
Completeness [%]	100.0	99.8	100
Redundancy	11.9	12.8	11.3
CC(1/2)	0.999	0.997	0.868

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.095 M HEPES pH 7.5, 26% PEG400, 0.19 M CaCl2, 5% glycerol