4IFY

HIV-1 reverse transcriptase with bound fragment at the 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
Spacegroup name	C 1 2 1
Unit cell lengths	161.946, 73.051, 108.755
Unit cell angles	90.00, 100.47, 90.00

Refinement procedure

Resolution	31.312 - 2.100
R-factor	0.1869
Rwork	0.186
R-free	0.21260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.190
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	2.370	2.140
High resolution limit [Å]	2.100	2.310	2.100
Rmerge	0.077	0.352	0.629
Number of reflections	73738
<I/σ(I)>	17.4
Completeness [%]	99.9	99.9	99.8

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