3GQK

Crystal Structure of the Bacteriophage phi29 gene product 12 C-terminal fragment in complex with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.98
Spacegroup name	P 21 3
Unit cell lengths	85.211, 85.211, 85.211
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.950 - 2.500
R-factor	0.267
Rwork	0.264
R-free	0.33400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gqh
RMSD bond length	0.010
RMSD bond angle	1.430
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.950	50.000	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.042	0.024	0.550
Number of reflections	7288
<I/σ(I)>	56.473
Completeness [%]	98.6	87.3	100
Redundancy	10.8	9.5	11.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	100mM Bis-Tris at pH 7.0, 20% PEG4K, 10%v/v MPD, 10mM MgCl2 and 10mM ATP, VAPOR DIFFUSION, HANGING DROP, temperature 298K