1KR1

Hevamine Mutant D125A/E127A in Complex with Tetra-NAG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2000-03-21
Detector	MACSCIENCE
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	50.795, 57.054, 81.671
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.410 - 2.000
R-factor	0.165 *
Rwork	0.181
R-free	0.23400 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2hvm
RMSD bond length	0.005 *
RMSD bond angle	1.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.400 *	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.096	0.307
Total number of observations	83761 *
Number of reflections	16542 *
<I/σ(I)>	10.2	3.1
Completeness [%]	97.1	96.8
Redundancy	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7	293	PEG3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	ammonium sulfate	1.1-1.4 (M)	or 10-30%(w/v) PEG3350, pH7.0