1G2K

HIV-1 PROTEASE WITH CYCLIC SULFAMIDE INHIBITOR, AHA047

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	278
Detector technology	CCD
Collection date	1999-09-20
Wavelength(s)	0.931
Spacegroup name	P 21 21 2
Unit cell lengths	58.508, 86.832, 46.648
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.950
R-factor	0.2
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ajx
RMSD bond length	0.006
RMSD bond angle	1.270
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	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.056
Number of reflections	17947
<I/σ(I)>		5.36
Completeness [%]	81.7	83.7
Redundancy	5.8	5.1

Crystallization Conditions

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