3DOL

Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with GW695634.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-24
Detector	ADSC QUANTUM 4
Wavelength(s)	0.870
Spacegroup name	P 21 21 21
Unit cell lengths	139.010, 111.530, 73.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.910 - 2.500
R-factor	0.224
Rwork	0.224
R-free	0.28800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dlg
RMSD bond length	0.008
RMSD bond angle	1.400
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	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.120
Number of reflections	40079
<I/σ(I)>	27.6	2.1
Completeness [%]	100.0	100
Redundancy	13.8	13

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