9SAB

14-3-3sigma protein binding to macrocycle 4

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	2024-01-25
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.967697
Spacegroup name	P 21 21 21
Unit cell lengths	63.382, 70.555, 128.314
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.890 - 1.500
R-factor	0.17877
Rwork	0.178
R-free	0.20202
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.350
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]	56.890	1.520
High resolution limit [Å]	1.500	1.500
Number of reflections	317773	269
<I/σ(I)>	13.3	2.4
Completeness [%]	99.9
Redundancy	14.2
CC(1/2)	0.997	0.783

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