5I3U

STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE N-SITE COMPLEX; CATALYTIC INCORPORATION OF AZTMP to A DNA aptamer in CRYSTAL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-08-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.1
Spacegroup name	P 1 21 1
Unit cell lengths	90.240, 128.710, 131.660
Unit cell angles	90.00, 100.84, 90.00

Refinement procedure

Resolution	48.100 - 3.000
R-factor	0.2244
Rwork	0.223
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d3g
RMSD bond length	0.004
RMSD bond angle	0.622
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.100	3.080
High resolution limit [Å]	3.000	3.000
Rmerge	0.071	0.858
Number of reflections	58402
<I/σ(I)>	13.8	2
Completeness [%]	98.7	98.6
Redundancy	4.5	4.3
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	7% PEG 8000, 25 MM BISTRIS-PROPANE PH 6.8, 75 MM BISTRIS-PROPANE PH 7.4, 50 MM AMMONIUM SULFATE, 5% GLYCEROL, 5% SUCROSE