4QIH

The structure of mycobacterial glucosyl-3-phosphoglycerate phosphatase Rv2419c complexes with VO3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.03935
Spacegroup name	P 21 21 21
Unit cell lengths	46.312, 82.762, 131.319
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.008 - 2.299
R-factor	0.192
Rwork	0.187
R-free	0.24480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pz9
RMSD bond length	0.014
RMSD bond angle	1.493
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.299	2.299
Rmerge	0.055	0.270
Number of reflections	22409
<I/σ(I)>	46	9
Completeness [%]	96.5	100
Redundancy	7	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1M HEPES sodium pH7.5, 10% 2-propanol, 20% w/v polyethylene glycol 4000, VAPOR DIFFUSION, SITTING DROP, temperature 293K