30TT

14-3-3sigma protein binding to TSC2-wt peptide and molecular glue 22

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2026-02-25
Detector	DECTRIS PILATUS4 XE 4M
Wavelength(s)	0.873130
Spacegroup name	C 2 2 21
Unit cell lengths	82.144, 112.402, 62.732
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.321 - 1.337
Rwork	0.142
R-free	0.17120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.640
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0431 (refmacat 0.4.126))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.321	1.360
High resolution limit [Å]	1.337	1.340
Number of reflections	65629	3067
<I/σ(I)>	15.8	2.2
Completeness [%]	99.8
Redundancy	13.8
CC(1/2)	0.998	0.760

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