1K33

Crystal structure analysis of the gp41 core mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	2001-05-27
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	51.853, 51.853, 60.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.150 - 1.750
R-factor	0.206 *
Rwork	0.206
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.800
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.039
Total number of observations	36268 *
Number of reflections	6132
Completeness [%]	99.4	100
Redundancy	25.4	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir		0.174 (M)
3	1	reservoir	PEG MME4000	2 (%)