2WOM

Crystal Structure of UK-453061 bound to HIV-1 Reverse Transcriptase (K103N).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	100
Spacegroup name	C 2 2 21
Unit cell lengths	116.600, 154.300, 155.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.950 - 3.200
R-factor	0.2291
Rwork	0.228
R-free	0.25740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fkp
RMSD bond length	0.007
RMSD bond angle	0.980
Refinement software	BUSTER-TNT (2.9.2)

Data quality characteristics

	Overall
Low resolution limit [Å]	25.000
High resolution limit [Å]	3.200
Rmerge	0.090
Number of reflections	23100
<I/σ(I)>	15
Completeness [%]	98.0
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1