3DOK

Crystal structure of K103N mutant HIV-1 reverse transcriptase in complex with GW678248.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-09-30
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 21 21 21
Unit cell lengths	136.940, 109.770, 72.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.790 - 2.900
R-factor	0.218
Rwork	0.218
R-free	0.31200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dle
RMSD bond length	0.012
RMSD bond angle	1.800
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.105	0.762
Number of reflections	24821
<I/σ(I)>	13.2	1.2
Completeness [%]	99.9	100
Redundancy	8.1	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP	5	277	pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K