1KJH

SUBSTRATE SHAPE DETERMINES SPECIFICITY OF RECOGNITION RECOGNITION FOR HIV-1 PROTEASE: ANALYSIS OF CRYSTAL STRUCTURES OF SIX SUBSTRATE COMPLEXES

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2000-01-25
Detector	RIGAKU
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	51.731, 59.083, 61.259
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.850 - 2.000
R-factor	0.188
Rwork	0.188
R-free	0.22700
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1f7a
RMSD bond length	0.006
RMSD bond angle	2.700
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	32.850
High resolution limit [Å]	2.000
Rmerge	0.069
Number of reflections	12905
<I/σ(I)>	8.5
Completeness [%]	97.5
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	AMMONIUM SULPHATE, SODIUM CITRATE, SODIUM PHOSPHATE, VAPOR DIFFUSION, HANGING DROP, temperature 298K