4DQH

Crystal Structure of (R14C/E65C) HIV-1 Protease in complex with DRV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	50.706, 57.982, 61.546
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.220 - 1.790
R-factor	0.17262
Rwork	0.170
R-free	0.21879
RMSD bond length	0.010
RMSD bond angle	1.367
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.850
High resolution limit [Å]	1.790	3.860	1.790
Rmerge	0.071	0.036	0.417
Number of reflections	17513
<I/σ(I)>	10.8
Completeness [%]	99.0	99.4	97.1
Redundancy	6.9	6.7	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5		50mM Citrate phosphate buffer pH 5.0, 7% DMSO, 24-35% Ammonium Sulfate, VAPOR DIFFUSION, HANGING DROP