9J0G

Crystal structure of RhoA-TP1001 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	CCD
Collection date	2024-06-09
Detector	RAYONIX MX-300
Wavelength(s)	0.979183
Spacegroup name	C 2 2 21
Unit cell lengths	81.240, 124.800, 173.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.080 - 3.100
R-factor	0.31298
Rwork	0.311
R-free	0.35410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ftn
RMSD bond length	0.006
RMSD bond angle	1.609
Data reduction software	HKL-3000 (7.21)
Data scaling software	HKL-3000 (7.21)
Phasing software	PHASER (2.7.0)
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.120	3.310
High resolution limit [Å]	3.100	3.100
Rmerge		0.439
Number of reflections	16388	2906
<I/σ(I)>	10.6
Completeness [%]	99.9
Redundancy	11.8
CC(1/2)	0.987	0.978

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		289	0.5 M Lithium sulfate monohydrate,0.1 M HEPES pH 7.5,30% w/v Polyethylene glycol 3,350