4DDZ

Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-22
Detector	NOIR-1
Wavelength(s)	1.00
Spacegroup name	I 41
Unit cell lengths	98.850, 98.850, 127.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.949 - 2.600
R-factor	0.2163
Rwork	0.215
R-free	0.24570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.429
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.770	2.690
High resolution limit [Å]	2.600	2.600
Rmerge		0.480
Number of reflections	37009
<I/σ(I)>	8.9	3
Completeness [%]	100.0
Redundancy	7	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	1 mM MgCl2, 100 mM sodium cacodylate pH 6.5, 200 mM trisodium citrate, 30%(v/v) 2-propanol, VAPOR DIFFUSION, HANGING DROP, temperature 289K