2PB9

Crystal structure of C-terminal domain of phosphomethylpyrimidine kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-03-13
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97950
Spacegroup name	P 42 21 2
Unit cell lengths	78.126, 78.126, 155.388
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.700
R-factor	0.2342
Rwork	0.234
R-free	0.29110
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.370
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.121	0.484
Number of reflections	13846
<I/σ(I)>	8
Completeness [%]	99.8	99.2
Redundancy	24.8	13.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	2.0M Sodium formate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K