1KGX

Three Dimensional Structure Analysis of the R195Q Variant of Human Pancreatic Alpha Amylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1999-07-09
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	53.081, 69.027, 131.827
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.000
R-factor	0.197
Rwork	0.197
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bsi
RMSD bond length	0.006 *
RMSD bond angle	1.060 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.065	0.093
Total number of observations	312384 *
Number of reflections	32187
<I/σ(I)>	16.4	10.7
Completeness [%]	88.0	73
Redundancy	3.3	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	298	Brayer, G.D., (2000) Biochemistry, 39, 4778. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	MPD	60 (%)
2	1	reservoir	cacodylate	100 (mM)
3	1	drop	protein	2 (mg/ml)