7MI0

Crystal Structure of Glycosyltransferase from Rickettsia africae ESF-5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-17
Detector	RAYONIX MX-300
Wavelength(s)	0.979190
Spacegroup name	P 65 2 2
Unit cell lengths	111.270, 111.270, 163.740
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.490 - 2.900
R-factor	0.1982
Rwork	0.194
R-free	0.23630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MR-rosetta starting from pdb entry 6d9t
RMSD bond length	0.004
RMSD bond angle	0.557
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MR-Rosetta
Refinement software	PHENIX (1.19 4205)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.980
High resolution limit [Å]	2.900	12.970	2.900
Rmerge	0.083	0.022	0.646
Rmeas	0.090	0.025	0.696
Number of reflections	13909	198	1008
<I/σ(I)>	21.03	48.57	3.36
Completeness [%]	99.8	91.2	100
Redundancy	7.074	5.04	7.249
CC(1/2)	0.999	0.999	0.908

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	287	Rigaku Reagens JCSG+ screen, condtion E1: 1000mM sodium citrate tribasic, 100mM sodium cacodylate / HCl pH 6.5: RiafA.17295.a.B1.PW36512 at 23.9mg/ml: tray: 240851 e1: cryo: 20% EG: puck osj0-7