1JQ0

Mutation that destabilize the gp41 core: determinants for stabilizing the SIV/CPmac envelope glycoprotein complex. Mutant structure.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	95
Detector technology	CCD
Collection date	2001-05-30
Detector	BRANDEIS - B4
Wavelength(s)	1.1000
Spacegroup name	H 3 2
Unit cell lengths	48.877, 48.877, 150.987
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 * - 1.700
R-factor	0.209 *
Rwork	0.209
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qbz
RMSD bond length	0.006
RMSD bond angle	13.600 *
Data reduction software	MADNESS
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.040	0.249
Total number of observations	137718 *
Number of reflections	7973
<I/σ(I)>	16.6	9
Completeness [%]	99.9	99.5
Redundancy	9.6	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Sodium formate, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	reservoir	sodium formate	3.8 (M)