4PWS

Crystal structure of secreted proline rich antigen MTC28 (Rv0040c) at 2.15 A with bound chloride from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.771
Spacegroup name	P 31 2 1
Unit cell lengths	101.410, 101.410, 67.690
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.950 - 2.150
R-factor	0.1905
Rwork	0.189
R-free	0.21550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ol4
RMSD bond length	0.026
RMSD bond angle	2.476
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]			2.210
High resolution limit [Å]	2.150	9.620	2.150
Rmerge	0.104	1.171	1.171
Rmeas		0.033	1.291
Number of reflections	42287	472	3117
<I/σ(I)>	14.19	41.81	1.98
Completeness [%]	99.8	98.5	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	2.25M Sodium Chloride, 100mM Bis-Tris propane, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K