3BX1
Complex between the Barley alpha-Amylase/Subtilisin Inhibitor and the subtilisin Savinase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 291 |
| Detector technology | CCD |
| Collection date | 2007-03-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.004 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 100.637, 100.637, 216.242 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.110 - 1.850 |
| R-factor | 0.20379 |
| Rwork | 0.202 |
| R-free | 0.23894 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB entries 1AVA and 1SVN |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.915 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.105 | 0.471 |
| Number of reflections | 84089 | |
| <I/σ(I)> | 16.3 | 1.6 |
| Completeness [%] | 87.7 | 41.4 |
| Redundancy | 4.3 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | 0.1 M sodium acetate buffer pH 5.6 and 4 M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
