9I74

14-3-3sigma binding to the ERa peptide and compound 21

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-12
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.967697
Spacegroup name	C 2 2 21
Unit cell lengths	82.256, 112.410, 62.659
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.610 - 1.500
R-factor	0.1291
Rwork	0.127
R-free	0.16045
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.444
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]	56.080	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	46524	2297
<I/σ(I)>	21.3	5.4
Completeness [%]	99.9
Redundancy	13.8
CC(1/2)	0.999	0.958

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