5JQQ

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

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	39.077 - 2.600
R-factor	0.2101
Rwork	0.209
R-free	0.23230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ckj
RMSD bond length	0.007
RMSD bond angle	1.153
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

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)>	9.1	3
Completeness [%]	100.0	100
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