4P5I

Crystal structure of the chemokine binding protein from orf virus

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-16
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9541, 1.0346, 1.0403, 1.0267
Spacegroup name	P 65 2 2
Unit cell lengths	76.250, 76.250, 281.940
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.280 - 2.250
R-factor	0.207
Rwork	0.206
R-free	0.23300
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.219
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	PHENIX ((PHENIX.REFINE: DEV_934))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.286	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.053	0.577
Number of reflections	29375
<I/σ(I)>	26.7	1.3
Completeness [%]	99.7	99.9
Redundancy	13.6	13.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	CRYSTALLIZATION DROPLETS CONSISTED OF 3 UL ORFV CKBP (12 MG ML-1 IN 20 MM HEPES PH 7.0, 1 MM DTT) PLUS 3.0 UL OF A SOLUTION CONTAINING 100 MM L-ARG IN 1.8 M AMMONIUM CITRATE TRIBASIC PH 7.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 289K