5KAT

The structure of SAV2435 bound to TETRAPHENYLPHOSPHONIUM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-03
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	73.529, 73.529, 66.408
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.996 - 2.101
R-factor	0.1868
Rwork	0.186
R-free	0.20470
RMSD bond length	0.004
RMSD bond angle	0.844
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]	26.000
High resolution limit [Å]	2.100
Number of reflections	10543
<I/σ(I)>	17.3
Completeness [%]	99.9
Redundancy	10.9

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