3E26

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-21
Detector	ADSC QUANTUM 210
Wavelength(s)	0.934
Spacegroup name	I 41
Unit cell lengths	99.524, 99.524, 126.584
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.374 - 2.500
R-factor	0.188
Rwork	0.187
R-free	0.22120
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	0.006
RMSD bond angle	0.970
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]	78.300	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.073	0.351
Number of reflections	21338
<I/σ(I)>	8.3	2.1
Completeness [%]	99.0	100
Redundancy	10.4	5.8

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