3CET

Crystal structure of the pantheonate kinase-like protein Q6M145 at the resolution 1.8 A. Northeast Structural Genomics Consortium target MrR63

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-15
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97900
Spacegroup name	P 21 21 21
Unit cell lengths	67.424, 75.308, 163.317
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.980 - 1.800
R-factor	0.219
Rwork	0.219
R-free	0.24600
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.2)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.800
Rmerge	0.065
Number of reflections	78605
<I/σ(I)>	20.7
Completeness [%]	89.5
Redundancy	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	6% PEG 6000, 100 mM MnSO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K