4P5F

The crystal structure of type III effector protein XopQ complexed with adenosine diphosphate ribose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	47.999, 73.808, 201.943
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.303 - 2.100
R-factor	0.204
Rwork	0.202
R-free	0.25310
RMSD bond length	0.007
RMSD bond angle	1.116
Data scaling software	SCALEPACK
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.153	0.076	0.856
Total number of observations	543348
Number of reflections	42892
<I/σ(I)>	5.6
Completeness [%]	99.8	99.7	100
Redundancy	12.7	12.7	12.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295.15	8.5% (w/v) PEG 1000, 8.5% (w/v) PEG 8000, 15% (v/v) glycerol, 10 mM CaCl2