7OPP

Crystal structure of the Rab27a fusion with Slp2a-RBDa1 effector for SF4 pocket drug targeting

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 31 2 1
Unit cell lengths	117.710, 117.710, 115.670
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	58.850 - 2.320
R-factor	0.1634
Rwork	0.162
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bc1
RMSD bond length	0.007
RMSD bond angle	0.870
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.850	2.403
High resolution limit [Å]	2.320	2.320
Rmerge	0.027	0.240
Rmeas	0.039	0.340
Rpim	0.027	0.240
Number of reflections	40486	3976
<I/σ(I)>	20.04	3.29
Completeness [%]	100.0	99.95
Redundancy	2	2
CC(1/2)	0.999	0.844

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277.15	1.5 M Sodium phosphate monobasic monohydrate, 0.1 M Sodium citrate