3GQ8

Crystal Structure of the Bacteriophage phi29 gene product 12 N-terminal fragment in complex with 2-(N-cyclohexylamino)ethane sulfonic acid (CHES)

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)	1.03
Spacegroup name	H 3 2
Unit cell lengths	90.841, 90.841, 586.952
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.240 - 2.000
R-factor	0.17
Rwork	0.169
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gq7
RMSD bond length	0.010
RMSD bond angle	1.279
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]	44.240	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.103	0.050	0.447
Number of reflections	62712
<I/σ(I)>	25.233
Completeness [%]	98.3	99.3	100
Redundancy	10.6	10.4	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10	298	100mM CHES at ~pH 10.0 and 8% PEG3K, VAPOR DIFFUSION, HANGING DROP, temperature 298K