1EBY

HIV-1 protease in complex with the inhibitor BEA369

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE D41A
Synchrotron site	LURE
Beamline	D41A
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	1996-07-03
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	59.150, 86.980, 47.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.000 * - 2.300 *
Rwork	0.185
R-free	0.20000 *
RMSD bond length	0.008 *
RMSD bond angle	25.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.710	2.440
High resolution limit [Å]	2.300 *	2.300 *
Rmerge	0.046	0.122
Total number of observations	28849 *
Number of reflections	10685
<I/σ(I)>	12.2
Completeness [%]	93.8 *	93.9
Redundancy	2.8	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5 *	4 *	used microseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2.0 (mg/ml)
2	1	drop	MES	50 (50)	pH6.5
3	1	drop	dithiothreitol	10 (mM)
4	1	drop	EDTA	1 (mM)
5	1	reservoir	MES	50 (mM)	pH5.5
6	1	reservoir		0.5 (M)