4LEM

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.953691
Spacegroup name	P 31 2 1
Unit cell lengths	164.299, 164.299, 259.114
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.010 - 2.270
R-factor	0.1509
Rwork	0.148
R-free	0.20442
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.838
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.010	2.390
High resolution limit [Å]	2.270	2.270
Number of reflections	186040
Completeness [%]	99.5	97.5
Redundancy		15.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	291	0.2% w/v biotin, 0.2% w/v phospho(enol)pyruvic acid monosodium salt hydrate, 0.2% w/v D-(+)-Melezitose hydrate, 0.2% w/v coenzyme B12 and 0.02M HEPES sodium pH 6.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K