6JCF

Cryogenic structure of HIV-1 Integrase catalytic core domain by synchrotron

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2018-11-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.987
Spacegroup name	P 31 2 1
Unit cell lengths	72.080, 72.080, 65.192
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.040 - 2.153
R-factor	0.2022
Rwork	0.200
R-free	0.24960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1itg
RMSD bond length	0.004
RMSD bond angle	0.590
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.050	2.250
High resolution limit [Å]	2.150	2.150
Rmerge	0.029	0.222
Number of reflections	10934	1270
<I/σ(I)>	33.7	1.9
Completeness [%]	100.0	100
Redundancy	1.9	1.9
CC(1/2)	0.999	0.861

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2mM Ammonium sulfate, 0.1M sodiumcacodylate trihydrate, 30% peg 8000