1RWI

Extracellular domain of Mycobacterium tuberculosis PknD

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-07-27
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0092, 0.9698
Spacegroup name	P 1 21 1
Unit cell lengths	43.940, 94.580, 71.770
Unit cell angles	90.00, 98.10, 90.00

Refinement procedure

Resolution	15.400 - 1.800
R-factor	0.193
Rwork	0.190
R-free	0.22000
Structure solution method	MAD
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	DM
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.400	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.052	0.308
Number of reflections	53640
<I/σ(I)>	18	3.9
Completeness [%]	99.4	99.4
Redundancy	4.1	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	sodium acetate, HEPES, cadmium sulfate, p-chloromercurybenzene sulfonic acid, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	8	295	sodium acetate, HEPES, cadmium sulfate, p-chloromercurybenzene sulfonic acid, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K