9SAE

14-3-3sigma protein binding to ChREBP peptide and macrocycle 4

This is a non-PDB format compatible entry.

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	2024-04-10
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.873128
Spacegroup name	C 2 2 21
Unit cell lengths	82.866, 112.997, 63.468
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.560 - 2.300
R-factor	0.2299
Rwork	0.227
R-free	0.28480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.783
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]	56.560	2.530
High resolution limit [Å]	2.300	2.300
Number of reflections	128946	11246
<I/σ(I)>	5.5	1.8
Completeness [%]	92.7
Redundancy	7.6
CC(1/2)	0.980	0.502

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