1KQZ

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2000-04-14
Detector	MACSCIENCE
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	51.753, 57.602, 82.508
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.800 - 1.920
R-factor	0.175 *
Rwork	0.168
R-free	0.21600 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2hvm
RMSD bond length	0.006 *
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]	28.800 *	1.950
High resolution limit [Å]	1.920	1.920
Rmerge	0.088	0.245
Total number of observations	138441 *
Number of reflections	19106 *
<I/σ(I)>	12.9	5.5
Completeness [%]	98.5	97.3
Redundancy	7.2

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