6IKA

HIV-1 reverse transcriptase with Q151M/G112S/D113A/Y115F/F116Y/F160L/I159L:DNA:entecavir-triphosphate ternary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-19
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.1
Spacegroup name	H 3
Unit cell lengths	285.405, 285.405, 96.346
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.869 - 2.598
R-factor	0.1881
Rwork	0.186
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xn1
RMSD bond length	0.013
RMSD bond angle	1.121
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.760
High resolution limit [Å]	2.598	2.598
Rmeas	0.091	0.844
Number of reflections	89785	14209
<I/σ(I)>	15.89	2
Completeness [%]	99.6	97.4
Redundancy	5.42
CC(1/2)	0.998	0.711

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	20 mM Bis-Tris-HCl PH 6.0, 30-40 mM di-ammonium hydrogen citrate, 20 mM MgCl2, 3.5-4% PEG 6000, 2.4% sucrose, 4.8% glycerol