1MXD
Structure of a (Ca,Zn)-dependent alpha-amylase from the hyperthermophilic archaeon Pyrococcus woesei
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-08-14 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.8453 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.837, 77.207, 106.569 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.19 |
| Rwork | 0.190 |
| R-free | 0.21900 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mwo |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.340 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 * | 2.000 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.075 | 0.320 |
| Number of reflections | 35302 | |
| <I/σ(I)> | 18.8 | 3.8 |
| Completeness [%] | 94.4 | 88.1 |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 25 * | sodium cacodylate, MPD, zinc acetate, acarbose, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 11 (mg/ml) | |
| 2 | 1 | reservoir | sodium cacodylate | 0.1 (M) | pH6.5 |
| 3 | 1 | reservoir | 0.05 (M) | ||
| 4 | 1 | reservoir | MPD | 35 (%(v/v)) |
