9UOA

Crystal structure of HIV-1 Reverse Transcriptase RNase H domain complexed with a galloyl inhibitor

This is a non-PDB format compatible entry.

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	2024-03-23
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.98
Spacegroup name	P 41 21 2
Unit cell lengths	61.255, 61.255, 83.122
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.310 - 1.960
R-factor	0.2537
Rwork	0.251
R-free	0.28160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.078
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]	43.310	2.010
High resolution limit [Å]	1.960	1.960
Rmerge	0.082	1.322
Rmeas	0.084	1.349
Rpim	0.017	0.264
Total number of observations	288857	20530
Number of reflections	11986	813
<I/σ(I)>	24	2.8
Completeness [%]	100.0
Redundancy	24.1	25.3
CC(1/2)	0.999	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	291	0.1M MES, 26%(v/v) PEG 6000, 0.01M Zinc Sulfate, 0.001M MANGANESE CHLORIDE