6JCG

Room temperature structure of HIV-1 Integrase catalytic core domain by serial femtosecond crystallography.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	PAL-XFEL BEAMLINE NCI
Synchrotron site	PAL-XFEL
Beamline	NCI
Temperature [K]	298
Detector technology	CCD
Collection date	2018-10-15
Detector	RAYONIX MX-225
Wavelength(s)	0.987
Spacegroup name	P 31 2 1
Unit cell lengths	73.275, 73.275, 66.710
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.665 - 2.500
R-factor	0.1802
Rwork	0.177
R-free	0.21170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1itg
RMSD bond length	0.003
RMSD bond angle	0.446
Data reduction software	Cheetah
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.670	2.610
High resolution limit [Å]	2.500	2.500
Number of reflections	13866	872
<I/σ(I)>	7.26	1.45
Completeness [%]	99.8	100
Redundancy	406.99	275.68
CC(1/2)	0.994	0.551

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		289	0.2mM Ammonium sulfate, 0.1M sodiumcacodylate trihydrate, 30% PEG 8000