4OL4

Crystal structure of secreted proline rich antigen MTC28 (Rv0040c) from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-11-03
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	102.220, 102.220, 68.719
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.480 - 2.800
R-factor	0.1818
Rwork	0.180
R-free	0.22280
Structure solution method	MIR
RMSD bond length	0.018
RMSD bond angle	2.027
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	SHARP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	88.521	19.475	2.850
High resolution limit [Å]	2.700	8.540	2.700
Rmerge		0.016	0.530
Rpim		0.007	0.216
Total number of observations		2293	11478
Number of reflections	11663
<I/σ(I)>	22.4	86.6	4.4
Completeness [%]	99.7	91.7	100
Redundancy	6.8	6.2	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	298	0.2M TMND, 0.1M Bis-tris Propane pH 9.0, 20% PEG MME 2000, VAPOR DIFFUSION, HANGING DROP, temperature 298K