9QNL

BAD pS118 phosphopeptide binding to 14-3-3sigma

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-14
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.873128
Spacegroup name	C 2 2 21
Unit cell lengths	82.606, 112.105, 62.952
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.760 - 1.300
R-factor	0.16453
Rwork	0.163
R-free	0.19484
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.932
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PDB-REDO

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.760	1.330
High resolution limit [Å]	1.300	1.300
Number of reflections	63729	3427
<I/σ(I)>	19.4	1.5
Completeness [%]	89.1
Redundancy	13
CC(1/2)	1.000	0.589

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.095 M HEPES pH=7.1-7.7 0.19 M CaCl2 5% glycerol 24-29% PEG400