3BQW

Crystal structure of the putative capsid protein of prophage (E.coli CFT073)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-29
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9794
Spacegroup name	P 61
Unit cell lengths	113.624, 113.624, 58.863
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	98.530 - 2.200
R-factor	0.17732
Rwork	0.175
R-free	0.22510
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.419
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	98.530	2.256
High resolution limit [Å]	2.200	2.200
Rmerge	0.140	0.527
Number of reflections	20956
<I/σ(I)>	18.39	2.47
Completeness [%]	99.4	98.28
Redundancy	10.6	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	289	10% PEG 3000, 0.1M Na/K phosphate, pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 289K