3GQA

Crystal Structure of the Bacteriophage phi29 gene product 12 N-terminal fragment in complex with cobalt ions

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	H 3 2
Unit cell lengths	89.741, 89.741, 584.795
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.880 - 2.100
R-factor	0.182
Rwork	0.180
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gq7
RMSD bond length	0.011
RMSD bond angle	1.377
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]	43.880	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.099	0.046	0.555
Number of reflections	53528
<I/σ(I)>	31.667
Completeness [%]	99.5	98.6	100
Redundancy	8.5	8	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10.5	298	100mM Tris-base at pH 10.5 and 8% PEG3K. Apo crystals were obtained by soaking the crystals in a mother liquid containing 10mM EDTA. The cobalt derivative was obtained by back soaking the apo-crystals in a mother liquid containing 10mM cobalt ions, VAPOR DIFFUSION, HANGING DROP, temperature 298K