3KKR

Crystal structure of catalytic core domain of BIV integrase in crystal form I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	200
Detector technology	IMAGE PLATE
Collection date	2008-04-01
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	82.320, 82.320, 51.057
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.978 - 2.453
R-factor	0.1938
Rwork	0.192
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bis
RMSD bond length	0.006
RMSD bond angle	0.886
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.540
High resolution limit [Å]	2.450	2.450
Number of reflections	6827
<I/σ(I)>	49.2	14.6
Completeness [%]	99.8	100
Redundancy	13.4	14

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	ammonium sulfate, sodium nitrate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K