5DJF

Structure of M. tuberculosis CysQ, a PAP phosphatase - ligand-free structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.12709
Spacegroup name	P 21 21 21
Unit cell lengths	40.320, 57.900, 101.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.203 - 1.700
R-factor	0.1639
Rwork	0.162
R-free	0.19990
Structure solution method	SIRAS
RMSD bond length	0.012
RMSD bond angle	1.411
Data reduction software	XDS
Data scaling software	XSCALE (July 4, 2012)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.203	1.740
High resolution limit [Å]	1.700	1.700
Rmerge	0.061	0.401
Number of reflections	26208
<I/σ(I)>	13.46	2.6
Completeness [%]	97.3	92.7
Redundancy	3.19	2.41

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298.15	24% PEG1500, 20% glycerol