3TC1

Crystal Structure of Octaprenyl Pyrophosphate Synthase from Helicobacter pylori

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-12-18
Detector	RIGAKU RAXIS
Wavelength(s)	0.97901
Spacegroup name	P 41 21 2
Unit cell lengths	109.330, 109.330, 103.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.636 - 2.000
R-factor	0.223
Rwork	0.201
R-free	0.23940
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.271
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	DM (6.0)
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	54.665	54.665	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge	0.091	0.048	0.366
Rmeas		0.049	0.378
Rpim		0.010	0.093
Total number of observations		38587	96179
Number of reflections	42895
<I/σ(I)>	31.5	57.5	6.8
Completeness [%]	99.9	99.8	99.3
Redundancy	26.3	25.2	15.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	277	15% PEG 3350, 100mM sodium acetate, 200mM MgCl2, pH 4.8, vapor diffusion, hanging drop, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	4.8	277	15% PEG 3350, 100mM sodium acetate, 200mM MgCl2, pH 4.8, vapor diffusion, hanging drop, temperature 277K