4W93
Human pancreatic alpha-amylase in complex with montbretin A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2012-07-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.283574 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.370, 74.100, 135.880 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.050 - 1.352 |
R-factor | 0.1983 |
Rwork | 0.198 |
R-free | 0.21130 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.292 |
Refinement software | PHENIX (1.9_1683) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.050 | 1.390 |
High resolution limit [Å] | 1.352 | 1.350 |
Rmerge | 0.057 | 0.887 |
Number of reflections | 42888 | |
<I/σ(I)> | 16.67 | 1.47 |
Completeness [%] | 99.0 | 88.9 |
Redundancy | 6.3 | 3.66 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 300 | 58% MPD, 100 mM sodium cacodylate |