1QE1

CRYSTAL STRUCTURE OF 3TC-RESISTANT M184I MUTANT OF HIV-1 REVERSE TRANSCRIPTASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	108
Detector technology	CCD
Detector	PRINCETON 2K
Spacegroup name	C 1 2 1
Unit cell lengths	238.600, 72.700, 95.300
Unit cell angles	90.00, 105.60, 90.00

Refinement procedure

Resolution	8.000 - 2.850
R-factor	0.259 *
Rwork	0.259
R-free	0.34600
RMSD bond length	0.014
RMSD bond angle	1.690
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.950
High resolution limit [Å]	2.850	2.850
Rmerge	0.090	0.360
Number of reflections	35177
<I/σ(I)>	5.2
Completeness [%]	95.0	88
Redundancy		2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	277	PEG 8000, GLYCEROL, BIS-TRIS, AMMONIUM SULFATE, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	bis-Tris	50 (mM)
2	1	reservoir	ammonium sulfate	100 (mM)
3	1	reservoir	glycerol	10 (%)
4	1	reservoir	PEG8000	9 (%)