8JML

Structure of Helicobacter pylori Soj protein mutant, D41A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-20
Detector	RAYONIX MX300HE
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	48.137, 94.133, 111.415
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.404 - 2.000
R-factor	0.174
Rwork	0.171
R-free	0.22120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6iub
RMSD bond length	0.009
RMSD bond angle	1.549
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.030
High resolution limit [Å]	2.000	5.420	2.000
Rmerge	0.156	0.050	0.848
Rmeas		0.052	0.901
Rpim		0.014	0.298
Number of reflections	35035	1916	1715
<I/σ(I)>	4.7
Completeness [%]	100.0	100	99.9
Redundancy	13.3	13	8.7
CC(1/2)	0.863	0.999	0.863

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1 M Tris, 0.1 M MgCl2, 14% PEG550MME, 16% PEG8000