6ASW

STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 9.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-12
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9180
Spacegroup name	P 1 21 1
Unit cell lengths	90.225, 133.218, 140.309
Unit cell angles	90.00, 97.94, 90.00

Refinement procedure

Resolution	33.616 - 2.605
R-factor	0.1797
Rwork	0.179
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDBID 6AMO
RMSD bond length	0.007
RMSD bond angle	0.457
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.11.1 2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.082	0.054	0.647
Number of reflections	98778	4710	4880
<I/σ(I)>	20	27.9	2.2
Completeness [%]	98.6	91.8	97.4
Redundancy	5.2	5.4	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	277	PEG 8000, NaCl, CHES (N-Cyclohexyl-2-aminoethanesulfonic acid), TRIS, MgCl2, d4T triphosphate