4E22

Structure of cytidine monophosphate kinase from Yersinia pseudotuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98
Spacegroup name	H 3
Unit cell lengths	88.635, 88.635, 84.285
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.430 - 2.323
R-factor	0.2245
Rwork	0.222
R-free	0.27820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.168
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall
Low resolution limit [Å]	27.430
High resolution limit [Å]	2.320
Rmerge	0.047
Number of reflections	10266
<I/σ(I)>	16.2
Redundancy	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	1 ul of 6 mg/ml Cmk (in 50 mM MES pH 6.0, 150 mM sodium chloride) plus 1 ul mother liquor (100 mM sodium HEPES pH 7.5, 1.2 M lithium sulfate, 100 mM magnesium chloride), VAPOR DIFFUSION, HANGING DROP, temperature 289K