4EYR

Crystal structure of multidrug-resistant clinical isolate 769 HIV-1 protease in complex with ritonavir

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	298
Detector technology	CCD
Collection date	2008-08-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 41
Unit cell lengths	45.398, 45.398, 104.071
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	? - 1.800
R-factor	0.19327
Rwork	0.191
R-free	0.22580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.636
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	19.927
High resolution limit [Å]	1.650
Number of reflections	22513

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	295	0.8M NaCl, 0.1 M MES, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K