1NH0

1.03 A structure of HIV-1 protease: inhibitor binding inside and outside the active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-12
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	28.913, 66.562, 93.147
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.030
R-factor	0.1305
Rwork	0.130
R-free	0.16540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vik
RMSD bond length	0.016
RMSD bond angle	0.036
Data reduction software	XDS
Data scaling software	XDS
Phasing software	EPMR
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.100	1.060
High resolution limit [Å]	1.030	1.030
Rmerge	0.089	0.595
Number of reflections	88784
<I/σ(I)>	10.5	1.85
Completeness [%]	99.0	93.3
Redundancy	9.8	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1