2BQV

HIV-1 protease in complex with inhibitor AHA455

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	287
Detector technology	CCD
Collection date	2004-05-14
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	60.082, 87.452, 47.124
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.100
R-factor	0.2055
Rwork	0.205
R-free	0.24270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d4j
RMSD bond length	0.007
RMSD bond angle	1.264
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.240	0.270
Number of reflections	14691
<I/σ(I)>	2.4	2.4
Completeness [%]	75.0	50
Redundancy	2.3	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5		pH 5.50