2QMK

Human pancreatic alpha-amylase complexed with nitrite

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-08-23
Detector	MAR scanner 345 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	51.682, 67.599, 129.385
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.290 - 2.300
R-factor	0.172
Rwork	0.172
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hny
RMSD bond length	0.007
RMSD bond angle	1.370
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.290	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.063	0.178
Number of reflections	16454
<I/σ(I)>	0.195	8.6
Completeness [%]		0.726
Redundancy		2

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 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 300K