3BVP

Crystal Structure of the N-terminal Catalytic Domain of TP901-1 Integrase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-08
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0093
Spacegroup name	P 41 21 2
Unit cell lengths	67.229, 67.229, 174.565
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.000 - 2.100
R-factor	0.201
Rwork	0.198
R-free	0.26300
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.212
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.03)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.056	0.026	0.440
Number of reflections	23563
<I/σ(I)>	15.8
Completeness [%]	96.4	97.9	77.8
Redundancy	8.1	8	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	294	PEG8000, Mg(OAc)2, pH 6.0, vapor diffusion, hanging drop, temperature 294K
1	VAPOR DIFFUSION, HANGING DROP	6	294	PEG8000, Mg(OAc)2, pH 6.0, vapor diffusion, hanging drop, temperature 294K
1	VAPOR DIFFUSION, HANGING DROP	6	294	PEG8000, Mg(OAc)2, pH 6.0, vapor diffusion, hanging drop, temperature 294K