4IDK

HIV-1 reverse transcriptase with bound fragment at the 428 site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-10
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	161.875, 73.072, 108.965
Unit cell angles	90.00, 100.48, 90.00

Refinement procedure

Resolution	42.934 - 2.100
R-factor	0.1839
Rwork	0.182
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.130
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.8.1_1168)
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

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	0.070	0.395	0.723
Number of reflections	73263
<I/σ(I)>	19.91
Completeness [%]	99.6	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