2NPH

Crystal structure of HIV1 protease in situ product complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Wavelength(s)	0.97945
Spacegroup name	P 61
Unit cell lengths	62.030, 62.030, 81.780
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.530 - 1.650
R-factor	0.216
Rwork	0.214
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.546
Data reduction software	XDS
Data scaling software	XDS
Phasing software	CNS
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall
Low resolution limit [Å]	32.530
High resolution limit [Å]	1.650
Rmerge	0.081
Number of reflections	20326
<I/σ(I)>	10.16
Completeness [%]	97.0
Redundancy	5.53

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	298	Ammonium Sulfate precipitant, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K