2GRJ

Crystal structure of Dephospho-CoA kinase (EC 2.7.1.24) (Dephosphocoenzyme A kinase) (tm1387) from THERMOTOGA MARITIMA at 2.60 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-ID-B
Synchrotron site	APS
Beamline	14-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2003-07-13
Detector	MAR CCD 165 mm
Wavelength(s)	0.97921, 0.9537246, 0.97907
Spacegroup name	P 1 21 1
Unit cell lengths	90.832, 87.217, 98.586
Unit cell angles	90.00, 106.92, 90.00

Refinement procedure

Resolution	25.290 - 2.600
R-factor	0.19328
Rwork	0.191
R-free	0.24500
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.791
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXD
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.700	47.700	2.690
High resolution limit [Å]	2.600	5.570	2.600
Rmerge	0.070	0.040	0.375
Number of reflections	44701
<I/σ(I)>	7.79	12.2	1.84
Completeness [%]	96.8
Redundancy	3.37

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	5.2	293	30.0M NaCl, 32.5% PEG-8000, 0.1M Na,K-Phosphate pH 5.2, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K