8CT7

Catalytic Core Domain of HIV-1 Integrase (F185K) bound with BI-224436

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-13
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.92
Spacegroup name	P 31 2 1
Unit cell lengths	72.486, 72.486, 66.454
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.380 - 2.130
R-factor	0.20017
Rwork	0.197
R-free	0.22485
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l3u
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.17.1.3660)
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.380	2.206
High resolution limit [Å]	2.130	2.130
Rmerge	0.017	0.160
Rmeas	0.024	0.024
Rpim	0.017	0.017
Number of reflections	11625	1133
<I/σ(I)>	29.5
Completeness [%]	99.9	100
Redundancy	2	2
CC(1/2)	1.000	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	7% PEG 8000, 0.2 M ammonium sulfate, 0.1 M sodium cacodylate, pH 6.5, 5 mM manganese chloride, 5 mM magnesium chloride, and 5 mM DTT