1DQZ

CRYSTAL STRUCTURE OF ANTIGEN 85C FROM MYCOBACTERIUM TUBERCULOSIS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Spacegroup name	P 21 21 21
Unit cell lengths	67.718, 75.947, 137.388
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.500
R-factor	0.1665
Rwork	0.167
R-free	0.18530
RMSD bond length	0.015
RMSD bond angle	1.700 *
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *
High resolution limit [Å]	1.500 *
Rmerge	0.045 *	0.276 *
Total number of observations	425433 *
Number of reflections	110059 *
Completeness [%]	96.9 *	99.2 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.6 *		refer to Mueller, U., (1999) RNA, 5, 670. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium citrate	100 (mM)
2	1	reservoir		0.7 (M)
3	1	drop	pHMPS	1 (mM)