1UD6
Crystal structure of AmyK38 with potassium ion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44B2 |
Synchrotron site | SPring-8 |
Beamline | BL44B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH |
Wavelength(s) | 1.0000 |
Spacegroup name | P 2 3 |
Unit cell lengths | 132.525, 132.525, 132.525 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 100.000 * - 2.500 |
Rwork | 0.212 |
R-free | 0.25100 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Model of native AmyK38 structure |
RMSD bond length | 0.006 |
RMSD bond angle | 23.200 * |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.099 | 0.272 |
Total number of observations | 404246 * | |
Number of reflections | 25846 * | |
<I/σ(I)> | 30.8 | 12.9 |
Completeness [%] | 95.4 * | 89.9 * |
Redundancy | 15.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.5 * | 293 | PEG 8000, potassium acetate, glycerol, MES-KOH, Tris-HCl, pH 6.8, Soaking of native crystals, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | Tris-HCl | 10 (mM) | pH7.5 |
2 | 1 | drop | protein | 10 (mg/ml) | |
3 | 1 | reservoir | cacodylate-NaOH | 0.085 (M) | pH6.8 |
4 | 1 | reservoir | PEG8000 | 25.5 (%(w/v)) | |
5 | 1 | reservoir | sodium acetate | 0.17 (M) | |
6 | 1 | reservoir | glycerol | 15 (%(v/v)) |