1G6L

1.9A CRYSTAL STRUCTURE OF TETHERED HIV-1 PROTEASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	296
Detector technology	IMAGE PLATE
Spacegroup name	P 61
Unit cell lengths	63.150, 63.150, 83.610
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 1.900
R-factor	0.195 *
Rwork	0.195
R-free	0.28400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013 *
RMSD bond angle	1.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.900
Rmerge	0.055
Total number of observations	43302 *
Number of reflections	14318
Completeness [%]	95.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.5 *
1	Vapor diffusion, hanging drop *	4.5 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	6 (mg/ml)
2	1	drop	sodium acetate	50 (mM)
3	1	reservoir	sodium phosphate	198 (mM)
4	1	reservoir	sodium citrate	99 (mM)
5	1	reservoir	ammonium sulfate	10 (%sat)