3OQA

Crystal Structures of Multidrug-Resistant Clinical Isolate 769 HIV-1 Protease Variants

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-D
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2004-03-22
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	45.136, 45.136, 102.709
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.250
R-factor	0.20396
Rwork	0.202
R-free	0.23778
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tw7
RMSD bond length	0.019
RMSD bond angle	1.826
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.280
High resolution limit [Å]	2.250	2.250
Number of reflections	5466
<I/σ(I)>		4.8
Redundancy	6.4	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	0.3-1.0M sodium chloride in the pH range 5.5-7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K