5TC2

C-terminal domain of HIV-1 integrase, crystal structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-12-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97858
Spacegroup name	P 1 21 1
Unit cell lengths	25.139, 72.618, 33.893
Unit cell angles	90.00, 106.39, 90.00

Refinement procedure

Resolution	36.310 - 1.840
R-factor	0.219
Rwork	0.218
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ex4
RMSD bond length	0.008
RMSD bond angle	1.100
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.310	1.880
High resolution limit [Å]	1.840	1.840
Rmerge	0.112	1.225
Rmeas	0.134	1.542
Rpim	0.072	0.921
Number of reflections	10034
<I/σ(I)>	6	0.8
Completeness [%]	98.7	84.2
Redundancy	3.2	2.1
CC(1/2)	0.994	0.580

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	2.1M di-Sodium DL-malate