1JXJ

Role of mobile loop in the mechanism of human salivary amylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	200
Detector technology	IMAGE PLATE
Collection date	2001-03-21
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	52.295, 75.250, 135.018
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.940 - 1.990
R-factor	0.16615
Rwork	0.164
R-free	0.19835
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1smd
RMSD bond length	0.015
RMSD bond angle	1.600 *
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.940	2.070
High resolution limit [Å]	1.990	1.990
Rmerge	0.062	0.281 *
Number of reflections	34452
<I/σ(I)>	16.2	3
Completeness [%]	97.7	95
Redundancy	3.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	298	MPD, calcium chloride, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	16 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)
3	1	drop		5 (mM)
4	1	reservoir	MPD	40 (%)