1B2Y
STRUCTURE OF HUMAN PANCREATIC ALPHA-AMYLASE IN COMPLEX WITH THE CARBOHYDRATE INHIBITOR ACARBOSE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 293 |
Collection date | 1998-07-15 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.110, 75.100, 137.130 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 11.000 - 3.200 |
R-factor | 0.191 |
Rwork | 0.191 |
R-free | 0.21700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hny |
RMSD bond length | 0.015 |
RMSD bond angle | 1.900 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.843) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 3.270 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.158 | 0.286 |
Total number of observations | 45084 * | |
Number of reflections | 10103 | |
<I/σ(I)> | 9.2 | 5.7 |
Completeness [%] | 91.8 | 63.4 |
Redundancy | 4.4 | 9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 8 | 60% 2-METHYLPENTAN-2,4 DIOL, pH 8.0 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | enzyme | 18 (mg/ml) | |
2 | 1 | reservoir | MES | 0.1 (M) | |
3 | 1 | reservoir | MPD | 55 (%(v/v)) |