2HB2

Structure of HIV protease 6X mutant in apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL1-5
Synchrotron site	SSRL
Beamline	BL1-5
Temperature [K]	100
Detector technology	CCD
Collection date	2006-02-18
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97944
Spacegroup name	P 41 21 2
Unit cell lengths	49.671, 49.671, 109.613
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.218 - 2.300
R-factor	0.291
Rwork	0.234
R-free	0.29100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.000
High resolution limit [Å]	2.300	2.300
Rmerge	0.093	0.041
Number of reflections	6506
<I/σ(I)>	13.7	1.2
Completeness [%]	98.8	99.8
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	281.16	5% PEG 3350, 0.05M Na/K Tartrate, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 281.16K