6HSN

Crystal structure of the ternary complex of GephE-ADP-GABA(A) receptor derived peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-23
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9677
Spacegroup name	I 2 2 2
Unit cell lengths	86.962, 99.217, 111.608
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.550
R-factor	0.16083
Rwork	0.159
R-free	0.19575
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u90
RMSD bond length	0.012
RMSD bond angle	1.833
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.480	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.074	0.734
Rmeas	0.095	0.974
Rpim	0.060	0.592
Number of reflections	69059	3337
<I/σ(I)>	9.6	1.6
Completeness [%]	98.7	97.8
Redundancy	4.5	4.5
CC(1/2)	0.997	0.655

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M sodium acetate pH 4.5 18-36 % MPD