3UEP

Crystal structure of YscQ-C from Yersinia pseudotuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9686
Spacegroup name	H 3 2
Unit cell lengths	114.130, 114.130, 88.560
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.421 - 2.250
R-factor	0.2035
Rwork	0.202
R-free	0.23320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Se-Met YscQ-C (I248M)
RMSD bond length	0.009
RMSD bond angle	1.244
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.420	2.310
High resolution limit [Å]	2.250	2.250
Rmerge	0.047	0.232
Number of reflections	10594
<I/σ(I)>	32.1	10.45
Completeness [%]	99.3	94.2
Redundancy	10.8	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.8	293	100 mM Tris, 1.5 M ammonium sulfate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K