6SIU

Crystal structure of IbpAFic2 covalently tethered to Cdc42

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979124
Spacegroup name	P 21 21 21
Unit cell lengths	92.241, 102.213, 129.273
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.200 - 2.490
R-factor	0.1926
Rwork	0.190
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4itr
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.200	2.580
High resolution limit [Å]	2.490	2.490
Rmerge	0.162	1.626
Rpim	0.077	0.762
Number of reflections	43472	4472
<I/σ(I)>	5.2	0.8
Completeness [%]	99.9	99.9
Redundancy	5.3	5.4
CC(1/2)	0.991	0.576

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	1.6 M ammonium sulfate and 0.1 M citric acid