2C4V

H. pylori type II DHQase in complex with citrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 42 3 2
Unit cell lengths	98.910, 98.910, 98.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.172
Rwork	0.170
R-free	0.21200
Structure solution method	OTHER
RMSD bond length	0.027
RMSD bond angle	2.240
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.2.0000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.000	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.090	0.480
Number of reflections	6146
Completeness [%]	100.0	100
Redundancy	38

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	295	PEG 4000, SODIUM CHOLRIDE, SODIUM CITRATE, EDTA, 2-MERCAPTOETHANOL, PH 5.8, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295K