4R5P

Crystal structure of HIV-1 reverse transcriptase (RT) with DNA and a nucleoside triphosphate mimic alpha-carboxy nucleoside phosphonate inhibitor

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	2013-10-13
Detector	ADSC QUANTUM 270
Wavelength(s)	0.918
Spacegroup name	P 1 21 1
Unit cell lengths	89.905, 133.529, 139.218
Unit cell angles	90.00, 97.81, 90.00

Refinement procedure

Resolution	44.536 - 2.894
R-factor	0.1965
Rwork	0.195
R-free	0.25060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v4i
RMSD bond length	0.012
RMSD bond angle	1.514
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.950
High resolution limit [Å]	2.894	2.894
Rmerge	0.107	0.634
Number of reflections	72131
<I/σ(I)>	8.9	1.85
Completeness [%]	99.6	99.2
Redundancy	4	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	277	10% PEG8000, 100 mM ammonium sulfate, 5% w/v sucrose, 5% w/v glycerol, 20 mM magnesium chloride, 50 mM Bis-Tris propane, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K