6AVM

STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 9.5 WITH CROSS-LINKING TO SECOND BASE TEMPLATE OVERHANG

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	2010-06-10
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9186
Spacegroup name	P 1 21 1
Unit cell lengths	90.264, 133.333, 140.203
Unit cell angles	90.00, 97.63, 90.00

Refinement procedure

Resolution	34.372 - 2.502
R-factor	0.1916
Rwork	0.191
R-free	0.22910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDBID 6AMO
RMSD bond length	0.006
RMSD bond angle	0.443
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]	2.500	5.380	2.500
Rmerge	0.101	0.046	0.785
Number of reflections	112162	10782	11191
<I/σ(I)>	17	29.8	1.8
Completeness [%]	99.3	94	99.7
Redundancy	6.6	7.1	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