1G35

CRYSTAL STRUCTURE OF HIV-1 PROTEASE IN COMPLEX WITH INHIBITOR, AHA024

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	278
Detector technology	AREA DETECTOR
Collection date	1998-04-03
Detector	MARRESEARCH
Wavelength(s)	1.3750
Spacegroup name	P 21 21 2
Unit cell lengths	58.500, 86.900, 46.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.800
Rwork	0.195
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ajx
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	25.000
High resolution limit [Å]	1.800	1.800
Rmerge	0.096	0.310
Number of reflections	19437
<I/σ(I)>	7.7
Completeness [%]	85.1	80.2
Redundancy	15.3	1.16

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	5.5	277	50 mM MES, 0.4 M NaCl, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K