3E25

Crystal structure of M. tuberculosis glucosyl-3-phosphoglycerate synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-01
Detector	ADSC Q4R
Wavelength(s)	0.931
Spacegroup name	I 41
Unit cell lengths	100.309, 100.309, 127.035
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.335 - 2.700
R-factor	0.2053
Rwork	0.204
R-free	0.23510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Rubrobacter xylanophilus mannosyl-3-phosphoglycerate synthase (Sa-Moura et al. Acta Cryst. (2008). F64 760-763)
RMSD bond length	0.010
RMSD bond angle	1.410
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.900	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.082	0.394
Number of reflections	16855
<I/σ(I)>	9.5	2.6
Completeness [%]	97.6	98.7
Redundancy	3.2	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.1M Tris pH 8.0, 0.5% polyethyleneglycol monomethyl ether 5000, 0.65M Na-K phosphate tetrahydrate, VAPOR DIFFUSION, HANGING DROP, temperature 293K