5KX4

Structure of SALO

Replaces:  4LU2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-12-25
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.514
Spacegroup name	P 42
Unit cell lengths	65.280, 65.280, 39.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.438 - 1.940
R-factor	0.1665
Rwork	0.165
R-free	0.18850
RMSD bond length	0.009
RMSD bond angle	1.074
Data reduction software	iMOSFLM
Data scaling software	SCALA
Refinement software	PHENIX ((dev_2405: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.700	2.040
High resolution limit [Å]	1.940	1.940
Rmerge	0.081	0.521
Number of reflections	12748
<I/σ(I)>	23.44	6
Completeness [%]	100.0	100
Redundancy	20	19.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	0.02M calcium chloride, 30% v/v MPD and 0.1 M sodium acetate pH 4.6.