8JYJ

Crystal structure of engineered HIV-1 Reverse Transcriptase RNase H domain complexed with laccaic acid A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-27
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0000
Spacegroup name	P 41 21 2
Unit cell lengths	61.836, 61.836, 83.624
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.720 - 2.010
R-factor	0.2483
Rwork	0.243
R-free	0.29770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.953
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.720	2.060
High resolution limit [Å]	2.010	2.010
Rmerge	0.067	1.373
Rmeas	0.070	1.437
Rpim	0.020	0.416
Total number of observations	144092	9343
Number of reflections	11427	807
<I/σ(I)>	16.6	1.2
Completeness [%]	99.9
Redundancy	12.6	11.6
CC(1/2)	0.998	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.6	291	0.1M MES, 26%(v/v) PEG6000, 0.01 M Zinc Sulfate, 0.001 M MANGANESE CHLORIDE