3BAK

N298S mutant of Human Pancreatic Alpha-Amylase in complex with nitrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	52.439, 68.977, 131.318
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.140 - 1.900
Rwork	0.174
R-free	0.20610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bsi
RMSD bond length	0.007
RMSD bond angle	1.495
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.900
Rmerge	0.540
Number of reflections	37873
<I/σ(I)>	26.4
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	300	60% 2-methylpentane-2,4-diol, 100 mM cacodylate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K