6P0N

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	2019-03-22
Detector	RDI CMOS_8M
Wavelength(s)	0.97625
Spacegroup name	C 2 2 21
Unit cell lengths	65.122, 104.754, 55.674
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.310 - 1.630
R-factor	0.139
Rwork	0.137
R-free	0.18570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1u8z
RMSD bond length	0.014
RMSD bond angle	1.195
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.310	1.700
High resolution limit [Å]	1.630	1.630
Rmeas	0.179	1.689
Rpim	0.066	0.629
Number of reflections	23868	2773
<I/σ(I)>	11.6	1.5
Completeness [%]	98.7
Redundancy	7.2
CC(1/2)	0.996	0.621

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