4PH1

C-terminal domain of capsid protein from bovine leukemia virus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-12-20
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	47.707, 52.877, 90.873
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.420 - 2.460
R-factor	0.2047
Rwork	0.199
R-free	0.25330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	a number of search probes were generated by comparative modelling with the Rosetta suite [Das R. & Baker D. Macromolecular modeling with rosetta (2008) Annu Rev Biochem 77 363-82] using PDB ID 3h47 as a template. In this way 10000 models were obtained scored and clustered. Several top ranking models gave solutions in MR using the program Phaser. To note using PDB 3H47 (or any other available PDB with similar sequence) did not produce right solutions.
RMSD bond length	0.010
RMSD bond angle	1.210
Data scaling software	SCALA (3.3.20)
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.703	35.421	2.590
High resolution limit [Å]	2.457	7.770	2.457
Rmerge		0.028	0.378
Rmeas	0.129
Rpim	0.067	0.021	0.232
Total number of observations	30830	998	4165
Number of reflections	8737
<I/σ(I)>	10.2	25.4	4.1
Completeness [%]	98.9	98.5	96.3
Redundancy	3.5	3.1	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1M Tris.HCl, 1.25M Ammonium sulphate