1KQY

Hevamine Mutant D125A/E127A/Y183F in Complex with Penta-NAG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2000-03-31
Detector	MACSCIENCE
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	51.480, 56.945, 81.338
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.500 - 1.920
R-factor	0.167 *
Rwork	0.174
R-free	0.20400 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2hvm
RMSD bond length	0.005 *
RMSD bond angle	1.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.500 *	1.950
High resolution limit [Å]	1.920	1.920
Rmerge	0.084 *	0.227
Total number of observations	118829 *
Number of reflections	18861 *
<I/σ(I)>	14.7	5.7
Completeness [%]	99.8	99.2
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7	293	Ammonium sulfate, 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