4B3Q

Structures of HIV-1 RT and RNA-DNA Complex Reveal a Unique RT Conformation and Substrate Interface

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-09
Detector	MARRESEARCH MAR300
Spacegroup name	H 3 2
Unit cell lengths	272.700, 272.700, 233.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.987 - 5.000
R-factor	0.3632
Rwork	0.361
R-free	0.40730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 1RTD 1fk9
RMSD bond length	0.008
RMSD bond angle	0.802
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	5.090
High resolution limit [Å]	5.000	5.000
Number of reflections	14646
<I/σ(I)>	14.8	1.7
Completeness [%]	99.6	100
Redundancy	6.5	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	277	RT COMPLEX WAS MIXED WITH RESERVOIR SOLUTION CONTAINING 1.8M (NH4)2SO4, 50MM TRIS HCL (PH8.5), AND 25MM MGSO4. VAPOR DIFFUSION 4C.