7DOZ

HIV-1 Protease D30N mutant in complex with Nelfinavir

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979778
Spacegroup name	P 61
Unit cell lengths	62.050, 62.050, 81.460
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.870 - 1.910
R-factor	0.1848
Rwork	0.182
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kt2
RMSD bond length	0.006
RMSD bond angle	0.976
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.870	2.010
High resolution limit [Å]	1.910	1.910
Rmerge	0.077	0.510
Number of reflections	13778	1951
<I/σ(I)>	12.46
Completeness [%]	99.5
Redundancy	4.27

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	298	2% saturated Ammonium Sulfate, 200/100 mM phosphate citrate buffer,