6AN8

STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 8.0

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	2010-07-10
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9177
Spacegroup name	P 1 21 1
Unit cell lengths	89.959, 132.824, 138.909
Unit cell angles	90.00, 97.83, 90.00

Refinement procedure

Resolution	43.359 - 2.596
R-factor	0.1783
Rwork	0.178
R-free	0.21660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDBID 6AMO
RMSD bond length	0.006
RMSD bond angle	0.419
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	2.690
High resolution limit [Å]	2.596	5.600	2.600
Rmerge	0.079	0.039	0.662
Number of reflections	97706	9934	9516
<I/σ(I)>	21.5	49.8	2.1
Completeness [%]	97.9	97.9	96.1
Redundancy	6.4	7.3	5.2

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