9I6T

14-3-3sigma binding to the ERa peptide and compound 32

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	2024-06-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.873128
Spacegroup name	C 2 2 21
Unit cell lengths	82.191, 113.033, 62.894
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.580 - 1.300
R-factor	0.1296
Rwork	0.128
R-free	0.15383
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.179
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]	62.890	1.320
High resolution limit [Å]	1.300	1.300
Number of reflections	72119	3565
<I/σ(I)>	21.7	3.7
Completeness [%]	99.9
Redundancy	11.8
CC(1/2)	1.000	0.881

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