4X9Y
Wild-Type Human Pancreatic Alpha-Amylase at True Atomic Resolution (1.07 A)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-07-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.200, 67.750, 130.230 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.052 - 1.070 |
R-factor | 0.1136 |
Rwork | 0.113 |
R-free | 0.13190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hny |
RMSD bond length | 0.007 |
RMSD bond angle | 1.280 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.1) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 1.100 |
High resolution limit [Å] | 1.070 | 1.070 |
Rmerge | 0.048 | 0.510 |
Number of reflections | 196249 | |
<I/σ(I)> | 16.18 | 1.82 |
Completeness [%] | 96.5 | 71.1 |
Redundancy | 4.76 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 58% MPD, 100 mM sodium cacodylate, Quercitrin was added to saturating conditions into the crystal droplet. |