9I6Z

14-3-3sigma binding to the ERa peptide and compound 2

This is a non-PDB format compatible entry.

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	2022-04-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033200
Spacegroup name	C 2 2 21
Unit cell lengths	82.138, 112.449, 62.653
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.590 - 1.400
R-factor	0.14098
Rwork	0.140
R-free	0.15727
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.950
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]	45.590	1.420
High resolution limit [Å]	1.400	1.400
Number of reflections	56983	2740
<I/σ(I)>	33.3	10.3
Completeness [%]	99.5
Redundancy	11.4
CC(1/2)	0.999	0.981

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