1OZP

Crystal Structure of Rv0819 from Mycobacterium tuberculosis MshD-Mycothiol Synthase Acetyl-Coenzyme A Complex.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-01-01
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	59.900, 61.690, 84.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.090 - 1.700
R-factor	0.196
Rwork	0.196
R-free	0.23500
Structure solution method	SIRAS
RMSD bond length	0.020
RMSD bond angle	1.950 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.028 *	0.125 *
Number of reflections	34340
<I/σ(I)>	26.8
Completeness [%]	97.5 *	87.3
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6	293	used microseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7.5 (mg/ml)
2	1	drop	CoA	2.5 (mM)
3	1	drop	PEG4000	5-10 (%(w/v))
4	1	drop	ADA	100 (mM)	pH6.0
5	1	reservoir	sucrose	28 (%(w/v))
6	1	reservoir	ADA	50 (mM)	pH6.0
7	1	reservoir	PEG4000	10 (%)
8	1	reservoir		200 (mM)