4FFA

Sulfatase from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-28
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0793478
Spacegroup name	P 21 21 21
Unit cell lengths	64.752, 128.472, 139.332
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.603 - 2.500
R-factor	0.2197
Rwork	0.217
R-free	0.27240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oih
RMSD bond length	0.007
RMSD bond angle	1.057
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.073	0.413
Number of reflections	40338
<I/σ(I)>	18.7
Completeness [%]	98.4	96.8
Redundancy	5	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	22% w/v PEG2000, 300 mM magnesium nitrate, 100 mM Tris, pH 8.0, 2% MPD, 2-3 days, VAPOR DIFFUSION, HANGING DROP, temperature 291K