3PJ6

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	2004-03-12
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	44.856, 44.856, 105.382
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.250
R-factor	0.2456
Rwork	0.243
R-free	0.30415
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	: 1TW7
RMSD bond length	0.021
RMSD bond angle	1.944
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.660	2.370
High resolution limit [Å]	2.250	2.250
Rmerge	0.074
Number of reflections	5356
<I/σ(I)>	14.2
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	300	0.3-1.0 M NaCl, pH 5.5-7.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K