1EBW

HIV-1 protease in complex with the inhibitor BEA322

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	1996-04-04
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	59.040, 86.830, 46.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.600 * - 1.810
Rwork	0.191
R-free	0.21800 *
RMSD bond length	0.006
RMSD bond angle	1.300 *
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]	24.640	1.920
High resolution limit [Å]	1.800 *	1.800 *
Rmerge	0.094 *	0.186
Total number of observations	42993 *
Number of reflections	16613 *
<I/σ(I)>	12.7
Completeness [%]	69.7 *	37.7
Redundancy	2.7	3.9

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 (mM)	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)