3SKV

Salicylyl-Acyltransferase SsfX3 from a Tetracycline Biosynthetic Pathway

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-09
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791, 0.9794, 0.9715
Spacegroup name	P 21 21 21
Unit cell lengths	66.211, 84.394, 127.943
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.801 - 2.490
R-factor	0.1798
Rwork	0.177
R-free	0.22710
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.180
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.801	150.000	2.590
High resolution limit [Å]	2.490	5.390	2.500
Rmerge	0.068	0.030	0.549
Number of reflections	25713
<I/σ(I)>	9.9
Completeness [%]	99.7	99.6	100
Redundancy	4.6	4.3	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	3.3 M sodium formate, pH 7.0, 0.01 M L-glutathione reduced, 0.01 M L-glutathione oxidized, VAPOR DIFFUSION, HANGING DROP, temperature 298K