4RGK

Crystal Structure of Putative Phytanoyl-CoA Dioxygenase Family Protein YbiU from Yersinia pestis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	C 1 2 1
Unit cell lengths	115.750, 54.659, 93.152
Unit cell angles	90.00, 124.47, 90.00

Refinement procedure

Resolution	47.711 - 2.150
R-factor	0.194
Rwork	0.191
R-free	0.24100
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.149
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((phenix.refine: dev_1745))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.190
High resolution limit [Å]	2.150	2.150
Number of reflections	25801
<I/σ(I)>	9.06	2.13
Completeness [%]	97.8	88.1
Redundancy	3.6	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	289	0.2 M lithium sulfate, 0.1 M CAPS pH 10.5, 1.2M monosodium dihydrogen phosphate/0.8 M dipotasium monohydrogen phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 289K