5HRO

STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE In COMPLEX WITH A DNA aptamer and an Alpha-carboxy nucleoside phosphonate inhibitor (alpha-CNP)

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	2014-06-13
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9179
Spacegroup name	P 1 21 1
Unit cell lengths	90.245, 128.959, 131.049
Unit cell angles	90.00, 101.47, 90.00

Refinement procedure

Resolution	38.520 - 2.750
R-factor	0.2361
Rwork	0.235
R-free	0.26460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d3g
RMSD bond length	0.011
RMSD bond angle	0.745
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.800
High resolution limit [Å]	2.750	7.450	2.750
Rmerge	0.077	0.046	0.532
Rmeas	0.088
Rpim	0.043
Total number of observations	268023
Number of reflections	74312
<I/σ(I)>	12.5
Completeness [%]	95.6	91.8	87.9
Redundancy	3.6	4.3	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	277	7% PEG 8000, 100 MM BISTRIS-PROPANE, AMMONIUM SULFATE, 5% GLYCEROL, 5% SUCROSE