4B3O

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 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-10
Detector	MARRESEARCH MX-300
Spacegroup name	P 31 2 1
Unit cell lengths	164.598, 164.598, 129.030
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.733 - 3.300
R-factor	0.2758
Rwork	0.275
R-free	0.29540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rtd
RMSD bond length	0.008
RMSD bond angle	0.875
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.390
High resolution limit [Å]	3.300	3.300
Number of reflections	30196
<I/σ(I)>	17.5	2.3
Completeness [%]	98.2	99.9
Redundancy	4.2	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.2	277	RT COMPLEX WAS MIXED WITH RESERVOIR SOLUTION CONTAINING 0.1M SODIUM CITRATE (PH5.2), 0.1M CACL2, 7.5% PEG400 (V/V). VAPOR DIFFUSION 4C.