4Q5E

Shigella Effector Kinase OspG bound to E2-Ub UbcH7-Ub Conjugate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	77.2
Detector technology	CCD
Collection date	2013-02-13
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	67.312, 84.141, 85.367
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.758 - 1.869
R-factor	0.1869
Rwork	0.185
R-free	0.23150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.465
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.900
High resolution limit [Å]	1.870	5.070	1.870
Rmerge	0.100	0.076
Number of reflections	40758
<I/σ(I)>	11.2
Completeness [%]	100.0	99.4	100
Redundancy	11	10.1	11.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	100mM Hepes 8.2, 15% PEG 4000, 100 mM MgCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K