6AMO

STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 7.0

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	90.020, 132.674, 139.392
Unit cell angles	90.00, 98.40, 90.00

Refinement procedure

Resolution	43.518 - 2.497
R-factor	0.1814
Rwork	0.181
R-free	0.21730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDBID 4PQU
RMSD bond length	0.005
RMSD bond angle	0.439
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	2.590
High resolution limit [Å]	2.497	5.380	2.500
Rmerge	0.077	0.040	0.722
Number of reflections	111018	11113	10853
<I/σ(I)>	11.2	37.1	1.9
Completeness [%]	99.2	97.6	97.9
Redundancy	6.4	7.3	5

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 (tris(hydroxymethyl)aminomethane), MgCl2, d4T triphosphate