4DG1

Crystal structure of HIV-1 reverse transcriptase (RT) with polymorphism mutation K172A and K173A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-06
Detector	NOIR-1
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	159.230, 72.150, 109.240
Unit cell angles	90.00, 97.52, 90.00

Refinement procedure

Resolution	29.077 - 2.150
R-factor	0.2326
Rwork	0.232
R-free	0.24720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kli
RMSD bond length	0.009
RMSD bond angle	1.313
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.077	29.077	2.270
High resolution limit [Å]	2.150	6.800	2.150
Rmerge		0.032	0.424
Total number of observations		6405	28515
Number of reflections	65991
<I/σ(I)>	8.1	17.4	1.4
Completeness [%]	98.8	94.7	99.7
Redundancy	3	3.1	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	277	50 mM bis-tris, 100 mM ammonium sulfate, 10% glycerol, 12% PEG 8000, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K