9SA9

14-3-3sigma protein binding to macrocycle 2

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	2024-10-04
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.873128
Spacegroup name	P 21 21 21
Unit cell lengths	63.308, 70.401, 128.166
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.440 - 1.600
R-factor	0.17421
Rwork	0.173
R-free	0.20099
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.389
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]	47.440	1.620
High resolution limit [Å]	1.600	1.600
Number of reflections	69433	3736
<I/σ(I)>	18.5	2.4
Completeness [%]	90.9
Redundancy	13.2
CC(1/2)	0.999	0.803

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