7XQV

The complex of nanobody Rh57 binding to GTP-bound RhoA active form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-06
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	0.979
Spacegroup name	I 41 2 2
Unit cell lengths	142.030, 142.030, 69.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.250 - 2.760
R-factor	0.2228
Rwork	0.220
R-free	0.26970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kmq
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	71.010	71.010	2.830
High resolution limit [Å]	2.760	12.340	2.760
Rmerge	0.381	0.072	3.889
Rmeas	0.389	0.074	3.965
Rpim	0.077	0.017	0.764
Total number of observations	237878	2408	18200
Number of reflections	9414	135	688
<I/σ(I)>	14.9	40.5	1.2
Completeness [%]	99.9	99.6	100
Redundancy	25.3	17.8	26.5
CC(1/2)	0.998	0.999	0.443

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% (w/v) PEG 8000; 100 mM Tris base/ Hydrochloric acid, pH 8.5; 200 mM MgCl2