2AZB

HIV-1 Protease NL4-3 3X mutant in complex with inhibitor, TL-3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-04-21
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 61 2 2
Unit cell lengths	62.539, 62.539, 81.852
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.400 - 2.030
R-factor	0.219
Rwork	0.219
R-free	0.28700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2az8
RMSD bond length	0.017
RMSD bond angle	1.800
Data reduction software	MOSFLM
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.400	2.180
High resolution limit [Å]	2.030	2.030
Rmerge	0.064	0.199
Number of reflections	6816
<I/σ(I)>	24.3	4.1
Completeness [%]	99.6	100
Redundancy	14.3	13.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5	281.16	PEG 4000, magensium chloride, Tris HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 281.16K, pH 8.50