1WBK

HIV-1 protease in complex with asymmetric inhibitor, BEA568

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Spacegroup name	P 21 21 2
Unit cell lengths	58.966, 86.750, 46.858
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.000
R-factor	0.1938
Rwork	0.194
R-free	0.23550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.172
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.080	0.470
Number of reflections	189607
<I/σ(I)>		3
Completeness [%]	98.8	96.7
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1