4O5J

Crystal structure of SabA from Helicobacter pylori

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 31 2 1
Unit cell lengths	180.044, 180.044, 64.470
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	90.020 - 2.200
R-factor	0.1409
Rwork	0.140
R-free	0.15939
Structure solution method	MAD
RMSD bond length	0.020
RMSD bond angle	1.533
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	Auto-Rickshaw
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	90.030	90.030	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.033	1.030
Rpim		0.012	0.357
Number of reflections	60966
<I/σ(I)>		51.9	2.4
Completeness [%]	100.0	99	100
Redundancy	9.3	8.8	9.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293.15	200mM sodium acetate, 18-20% PEG 4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
1	VAPOR DIFFUSION, HANGING DROP	4.6	293.15	200mM sodium acetate, 18-20% PEG 4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K