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 |