1K0R

Crystal Structure of Mycobacterium tuberculosis NusA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2000-10-28
Detector	ADSC QUANTUM 4
Wavelength(s)	1.009, 0.939
Spacegroup name	P 32 2 1
Unit cell lengths	88.987, 88.987, 180.208
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 1.700
R-factor	0.211 *
Rwork	0.248
R-free	0.24900 *
RMSD bond length	0.005
RMSD bond angle	1.115
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.103 *	0.544
Number of reflections	82725
<I/σ(I)>	10.2	2.2
Completeness [%]	91.2 *	78.2
Redundancy	4.4 *	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	291 *	Gopal, B., (2001) Acta Crystallog., D57, 1187. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	reservoir	ammonium sulfate	1.1 (M)
3	1	reservoir	MES	0.1 (M)	pH6.1