4IDM

Crystal structure of the Delta-pyrroline-5-carboxylate dehydrogenase from Mycobacterium tuberculosis

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979231, 0.953698, 0.979083
Spacegroup name	P 6 2 2
Unit cell lengths	162.945, 162.945, 96.227
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.780 - 2.500
R-factor	0.14737
Rwork	0.144
R-free	0.20702
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.800
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHELXS
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.780	39.780	2.630
High resolution limit [Å]	2.500	7.900	2.500
Rmerge	0.226	0.091	0.774
Number of reflections	26403
Completeness [%]	99.7	99.1	98.1
Redundancy		99.1	63.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.1	291	0.1 M Bicine/Tris pH 8.1, 12% polyethylene glycol (PEG) 1000, 12% PEG 3350, 12% 2-methyl-2,4-pentandiol (MPD), 0.03 M sodium nitrate, 0.03 M disodium hydrogen phosphate and 0.03 M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 291K