5I42

Structure of HIV-1 Reverse Transcriptase in complex with a DNA aptamer, AZTTP, and CA(2+) ion

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	90.151, 132.192, 139.658
Unit cell angles	90.00, 97.15, 90.00

Refinement procedure

Resolution	48.449 - 3.300
R-factor	0.2217
Rwork	0.221
R-free	0.24730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d3g
RMSD bond length	0.006
RMSD bond angle	0.628
Data reduction software	MOSFLM
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]	50.000	50.000	3.360
High resolution limit [Å]	3.300	8.940	3.300
Rmerge	0.051	0.020	0.339
Rmeas	0.058
Rpim	0.028
Total number of observations	170385
Number of reflections	46338
<I/σ(I)>	11.5
Completeness [%]	94.5	99.4	64
Redundancy	3.7	4	2.5

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