4X0N
Porcine pancreatic alpha-amylase in complex with helianthamide, a novel proteinaceous inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-24 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.9794 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.750, 103.280, 111.896 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.888 - 2.600 |
R-factor | 0.1838 |
Rwork | 0.182 |
R-free | 0.22630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pif |
RMSD bond length | 0.004 |
RMSD bond angle | 0.882 |
Phasing software | CNS (1.3) |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 49.190 |
High resolution limit [Å] | 2.600 |
Rmerge | 0.109 |
Number of reflections | 15473 |
<I/σ(I)> | 17.3 |
Completeness [%] | 95.2 |
Redundancy | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 300 | 100 mM Tris, 8% PEG 8000 |