2QV4
Human pancreatic alpha-amylase complexed with nitrite and acarbose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-08-29 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.859, 67.723, 130.099 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.330 - 1.970 |
Rwork | 0.176 |
R-free | 0.22410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hny |
RMSD bond length | 0.008 |
RMSD bond angle | 1.505 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.000 |
High resolution limit [Å] | 1.970 | 1.970 |
Rmerge | 0.040 | 0.170 |
Number of reflections | 32323 | |
<I/σ(I)> | 42.5 | 14 |
Completeness [%] | 97.6 | 94.5 |
Redundancy | 4.5 | 4 |
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 |