8BOS

Transition state analogue complex of small G protein and its GAP effector

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-02
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	71.832, 41.558, 89.674
Unit cell angles	90.00, 109.25, 90.00

Refinement procedure

Resolution	84.660 - 2.100
R-factor	0.20217
Rwork	0.198
R-free	0.27994
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wq1
RMSD bond length	0.007
RMSD bond angle	1.437
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.660	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.176	0.659
Rmeas	0.213	0.821
Rpim	0.112	0.478
Number of reflections	16248	206
<I/σ(I)>	12.6	1.7
Completeness [%]	54.1
Redundancy	3.4	2.8
CC(1/2)	0.981	0.552

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	precipitant: HEPES-Na 100 mM pH = 8.0, PEG3350 22% (w/v), (NH4)2SO4 20 mM, Gd-HCl 100 mM, NaF 20 mM protein buffer: HRas 0.400 mM, RasGAP 0.400 mM, HEPES-Na 20 mM, NaF 20 mM drop size: 5 uL, protein:precipitant ratio: 1:1.2