4DWL

Avd molecule from Bordetella bacteriophage DGR

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97941, 0.97950, 0.97630
Spacegroup name	P 1 21 1
Unit cell lengths	54.317, 63.072, 105.295
Unit cell angles	90.00, 103.77, 90.00

Refinement procedure

Resolution	42.910 - 2.690
R-factor	0.197
Rwork	0.194
R-free	0.24390
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.169
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	2.820	2.540
High resolution limit [Å]	2.500	2.750	2.500
Rmerge	0.093
Number of reflections	43542
Completeness [%]	92.3	87.5	66.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	20% PEG 3350, 0.2M magnesium chloride, 0.4M barium chloride, 0.1M Bis-Tris, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K