6ANQ

STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 8.5

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	89.853, 132.723, 139.471
Unit cell angles	90.00, 98.06, 90.00

Refinement procedure

Resolution	43.445 - 2.586
R-factor	0.1803
Rwork	0.180
R-free	0.21890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDBID 6AMO
RMSD bond length	0.006
RMSD bond angle	0.441
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]	2.586	5.600	2.600
Rmerge	0.091	0.048	0.736
Number of reflections	100112	10093	9764
<I/σ(I)>	18.1	32.9	1.7
Completeness [%]	99.5	98.6	97.3
Redundancy	6.5	7.3	4.9

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