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)) |