3BAJ
Human Pancreatic Alpha-Amylase in Complex with Nitrate and Acarbose
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 | 53.140, 69.200, 132.660 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.330 - 2.100 |
Rwork | 0.174 |
R-free | 0.22490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bsi |
RMSD bond length | 0.007 |
RMSD bond angle | 1.431 |
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] | 2.100 |
Rmerge | 0.970 |
Number of reflections | 29386 |
<I/σ(I)> | 13.7 |
Redundancy | 4.8 |
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 |