5KAU

The structure of SAV2435 bound to 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	2011-02-04
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	73.347, 73.347, 65.342
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.670 - 1.950
R-factor	0.1631
Rwork	0.162
R-free	0.18710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lur
RMSD bond length	0.019
RMSD bond angle	1.635
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]	36.670
High resolution limit [Å]	1.950
<I/σ(I)>	23.8
Completeness [%]	99.9
Redundancy	7.7

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