1KNC

Structure of AhpD from Mycobacterium tuberculosis, a novel enzyme with thioredoxin-like activity.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2001-03-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9787
Spacegroup name	P 65 2 2
Unit cell lengths	108.318, 108.318, 233.582
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.216 *
Rwork	0.216
R-free	0.24300
Structure solution method	MIR
RMSD bond length	0.005 *
RMSD bond angle	0.929 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.077 *	0.313 *
Total number of observations	1515540 *
Number of reflections	55072
<I/σ(I)>	18	2.7
Completeness [%]	99.7	98.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	1.5-2.5M AmSO4, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	1.5-2.5 (M)