5KAW

The structure of SAV2435 bound to TETRAPHENYLPHOSPHONIUM and RHODAMINE 6G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-05
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	73.724, 73.724, 65.891
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.860 - 1.860
R-factor	0.1667
Rwork	0.165
R-free	0.19380
RMSD bond length	0.005
RMSD bond angle	0.978
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	36.860
High resolution limit [Å]	1.860
Number of reflections	15185
<I/σ(I)>	19.4
Completeness [%]	96.3
Redundancy	11.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	2.4 M ammonium sulfate, 0.1 M Tris pH 8.5