4PZA

The complex structure of mycobacterial glucosyl-3-phosphoglycerate phosphatase Rv2419c with inorganic phosphate

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)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	55.358, 76.893, 105.993
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.142 - 1.776
R-factor	0.1841
Rwork	0.182
R-free	0.21870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h2e
RMSD bond length	0.007
RMSD bond angle	1.172
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.800
High resolution limit [Å]	1.770	1.770
Rmerge	0.067	0.328
Number of reflections	44306
<I/σ(I)>	29.5	5.58
Completeness [%]	99.3	89.5
Redundancy	6.7	4.8

Crystallization Conditions

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