1NBY

Crystal Structure of HyHEL-63 complexed with HEL mutant K96A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Detector technology	IMAGE PLATE
Wavelength(s)	1.5418
Spacegroup name	P 42 21 2
Unit cell lengths	90.870, 90.870, 151.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.890 - 1.800
R-factor	0.2161
Rwork	0.216
R-free	0.24200 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017 *
RMSD bond angle	0.024 *
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.890
High resolution limit [Å]	1.800	1.800 *
Rmerge	0.059 *	0.422 *
Total number of observations	430270 *
Number of reflections	114251 *
Completeness [%]	99.9 *	100 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6		PEG 4000, AMMONIUM ACETATE, SODIUM ACETATE, pH 4.60, 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	PEG4000	15 (%(w/v))
3	1	reservoir	ammonium acetate	0.1 (M)
4	1	reservoir	sodium acetate	0.05 (M)	pH4.6