7QSC

GTPase IN COMPLEX WITH GDP.MGF3-

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-22
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	73.765, 66.489, 76.958
Unit cell angles	90.00, 95.27, 90.00

Refinement procedure

Resolution	55.640 - 1.910
R-factor	0.2462
Rwork	0.244
R-free	0.29450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m6x
RMSD bond length	0.005
RMSD bond angle	1.351
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.640	1.950
High resolution limit [Å]	1.910	1.910
Rmerge	0.135
Rmeas	0.160
Rpim	0.085
Number of reflections	57691	3865
<I/σ(I)>	10.4	1
Completeness [%]	100.0	100
Redundancy	6.7
CC(1/2)	0.996	0.649

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	Protein stock of RhoA-Y34F3Y 0.7 mM, RhoGAP-R85A 0.7 mM in a buffer of BisTris-HCl, pH 6.0, NaCl 150 mM, MgCl2 5 mM, NaF 10 mM, DTT 1 mM mixed 1:1.2 ratio with the precipitant solution of 0.1 M BisTris-HCl, pH 5.8, PEG3350 26% (w/v).