1U8G

Crystal structure of a HIV-1 Protease in complex with peptidomimetic inhibitor KI2-PHE-GLU-GLU-NH2

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
Detector	ADSC QUANTUM 4
Spacegroup name	P 61
Unit cell lengths	61.370, 61.370, 80.520
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	53.450 - 2.201
R-factor	0.21103
Rwork	0.209
R-free	0.25864
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	2.950
Data reduction software	XDS
Data scaling software	XDS
Phasing software	EPMR
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall
Low resolution limit [Å]	53.450
High resolution limit [Å]	2.200
Number of reflections	8740
Completeness [%]	99.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6		50mM MES, 2.4 ammonium sulfate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 255K