4KFB

HIV-1 reverse transcriptase with bound fragment at NNRTI adjacent site

Replaces:  4I7G

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	2010-07-02
Detector	ADSC QUANTUM 270
Wavelength(s)	0.917
Spacegroup name	C 1 2 1
Unit cell lengths	161.408, 73.145, 108.768
Unit cell angles	90.00, 100.47, 90.00

Refinement procedure

Resolution	43.297 - 1.854
R-factor	0.1862
Rwork	0.186
R-free	0.21440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.201
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.8.1_1168)
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.297	1.880
High resolution limit [Å]	1.854	1.850
Rmerge	0.065
Number of reflections	105443
<I/σ(I)>	13.79
Completeness [%]	95.1	86.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.7		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