1G9H
TERNARY COMPLEX BETWEEN PSYCHROPHILIC ALPHA-AMYLASE, COMII (PSEUDO TRI-SACCHARIDE FROM BAYER) AND TRIS (2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM02 |
| Synchrotron site | ESRF |
| Beamline | BM02 |
| Temperature [K] | 277 |
| Detector technology | CCD |
| Collection date | 1996-02-28 |
| Detector | THOMSON/PRINCETON |
| Wavelength(s) | 0.9828 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 71.330, 138.680, 114.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.280 - 1.800 |
| Rwork | 0.168 |
| R-free | 0.20090 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1aqh |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.597 |
| Data reduction software | ROTAVATA |
| Data scaling software | XDS |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.843) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.280 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.064 | 0.297 |
| Number of reflections | 43621 | |
| <I/σ(I)> | 9.7 | 2.4 |
| Completeness [%] | 82.2 | 54.2 |
| Redundancy | 1.7 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | MPD, Hepes, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
