5NLV

Brag2 Sec7-PH (390-763)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978570
Spacegroup name	C 1 2 1
Unit cell lengths	114.434, 57.556, 75.262
Unit cell angles	90.00, 97.70, 90.00

Refinement procedure

Resolution	18.920 - 2.400
R-factor	0.241
Rwork	0.240
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5C0A chain E
RMSD bond length	0.009
RMSD bond angle	1.040
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.940	2.490
High resolution limit [Å]	2.400	2.400
Rpim	0.040	1.060
Number of reflections	19122
<I/σ(I)>	13.2	1.1
Completeness [%]	99.4	97.2
Redundancy	6.7	5.8
CC(1/2)	0.999	0.733

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	15% PEG3350, 300mM NaCl