5YRS

X-ray Snapshot of HIV-1 Protease in Action: Observation of Tetrahedral Intermediate and Its SIHB with Catalytic Aspartate

Replaces:  3MIM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.987
Spacegroup name	P 61
Unit cell lengths	62.560, 62.560, 81.860
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.760
R-factor	0.223
Rwork	0.223
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lv1
RMSD bond length	0.012
RMSD bond angle	1.990
Data reduction software	XDS
Data scaling software	XDS
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.810
High resolution limit [Å]	1.760	1.760
Rmerge	0.072	0.465
Number of reflections	17226
<I/σ(I)>	21.76	2.98
Completeness [%]	95.3	88.5
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	298	0.1M PHOSPHATE-0.2M CITRATE BUFFER, AMM. SULPHATE, PH 6.2, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K