6FNE

Structure of human Brag2 (Sec7-PH domains) with the inhibitor Bragsin bound to the PH domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-03-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9801
Spacegroup name	P 21 21 21
Unit cell lengths	65.912, 66.161, 218.823
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.330 - 2.501
R-factor	0.2209
Rwork	0.218
R-free	0.27980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nly
RMSD bond length	0.009
RMSD bond angle	1.136
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.900	2.780
High resolution limit [Å]	2.500	2.500
Rpim	0.050	0.460
Number of reflections	21954	11487
<I/σ(I)>	9.9
Completeness [%]	93.9	70
Redundancy	13
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	18% PEG 20000, 0.1 M Tris pH 8.5