6P0I

Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2019-02-02
Detector	RDI CMOS_8M
Wavelength(s)	1.00003
Spacegroup name	C 2 2 21
Unit cell lengths	64.850, 104.330, 55.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.000 - 1.180
R-factor	0.1265
Rwork	0.125
R-free	0.14720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1u8z
RMSD bond length	0.013
RMSD bond angle	1.181
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15_3459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.000	1.200
High resolution limit [Å]	1.180	1.180
Rmeas	0.048	0.909
Rpim	0.015	0.419
Number of reflections	61827	2645
<I/σ(I)>	22.7	1.6
Completeness [%]	100.0	100
Redundancy	8.1	4.7
CC(1/2)	1.000	0.681

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.2 M Calcium Acetate pH 5.5, 18-22% PEG3350.