1DQY

CRYSTAL STRUCTURE OF ANTIGEN 85C FROM MYCOBACTERIUM TUBERCULOSIS WITH DIETHYL PHOSPHATE INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Spacegroup name	C 1 2 1
Unit cell lengths	128.800, 67.808, 39.765
Unit cell angles	90.00, 102.73, 90.00

Refinement procedure

Resolution	30.000 - 1.830
R-factor	0.165 *
Rwork	0.168
R-free	0.18800 *
RMSD bond length	0.050 *
RMSD bond angle	1.250 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *
High resolution limit [Å]	1.830 *
Rmerge	0.052 *	0.226 *
Total number of observations	27884 *
Number of reflections	128115 *
Completeness [%]	94.4 *	80.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.6 *

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)