4DQG

Crystal Structure of apo(G16C/L38C) HIV-1 Protease

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	51.472, 58.168, 61.043
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.110 - 2.790
R-factor	0.20056
Rwork	0.198
R-free	0.26174
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.387
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	2.740
High resolution limit [Å]	2.650	5.710	2.650
Rmerge	0.098	0.044	0.460
Number of reflections	5552
<I/σ(I)>	8.1
Completeness [%]	97.9	99.4	98.9
Redundancy	5.7	5.4	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	50mM Citrate phosphate buffer pH 5.0, 7% DMSO, 27-35% Ammonium Sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K