4IG3

HIV-1 reverse transcriptase with bound fragment near Knuckles site

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	2008-12-20
Detector	ADSC QUANTUM 270
Wavelength(s)	0.917
Spacegroup name	C 1 2 1
Unit cell lengths	161.756, 73.067, 109.026
Unit cell angles	90.00, 100.03, 90.00

Refinement procedure

Resolution	33.206 - 1.950
R-factor	0.1788
Rwork	0.178
R-free	0.20290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.445
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (dev_1233)
Refinement software	PHENIX ((phenix.refine: dev_1233))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	2.200	1.980
High resolution limit [Å]	1.950	2.150	1.950
Rmerge	0.066	0.273	0.625
Number of reflections	91749
<I/σ(I)>	20.33
Completeness [%]	98.1	97.9	91

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.7	277	11% PEG 8000, 4% PEG 400, 50 MM IMIDAZOLE, 10 MM SPERMINE, 15 MM MGSO4, 100 MM AMMONIUM SULFATE, AND 5 MM TRIS(2-CARBOXYETHYL)PHOSPHINE, PH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K