3KDR

The Crystal Structure of a HK97 Family Phage Portal Protein from Corynebacterium diphtheriae to 2.9A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-30
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9794
Spacegroup name	F 4 3 2
Unit cell lengths	340.068, 340.068, 340.068
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.250 - 2.900
R-factor	0.19993
Rwork	0.198
R-free	0.24503
RMSD bond length	0.022
RMSD bond angle	1.776
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC (refmac_5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.950
High resolution limit [Å]	2.900	7.850	2.900
Rmerge	0.149	0.059	0.742
Number of reflections	37241
<I/σ(I)>	5.6
Completeness [%]	98.5	94.2	99.7
Redundancy	9	9.2	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	277	1.2M Sodium phosphate dibasic/0.8M Potassium phosphate monobasic, CAPS pH 10.5, 0.2M Lithium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 277K