3IBW

Crystal Structure of the ACT domain from GTP pyrophosphokinase of Chlorobium tepidum. Northeast Structural Genomics Consortium Target CtR148A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-10
Detector	MAR CCD 165 mm
Wavelength(s)	0.97853
Spacegroup name	P 43 21 2
Unit cell lengths	64.306, 64.306, 93.963
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.930 - 1.930
Rwork	0.198
R-free	0.19200
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SnB
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.960
High resolution limit [Å]	1.930	1.930
Rmerge	0.074	0.290
Number of reflections	28229
<I/σ(I)>	34.9	9.5
Completeness [%]	99.7	96.9
Redundancy	8.4	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	20% PEG 8000, 0.17 ammonium phosphate, 0.085M cacodylic acid, 15% glycerol, pH 6.5 , VAPOR DIFFUSION, HANGING DROP, temperature 293K