1UD8
Crystal structure of AmyK38 with lithium 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 | 132.553, 132.553, 132.553 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 100.000 * - 2.880 |
| Rwork | 0.205 |
| R-free | 0.26500 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Model of native AmyK38 structure |
| RMSD bond length | 0.006 |
| RMSD bond angle | 22.900 * |
| 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 | 2.980 |
| High resolution limit [Å] | 2.880 | 2.880 |
| Rmerge | 0.137 | 0.297 |
| Total number of observations | 363444 * | |
| Number of reflections | 17227 * | |
| <I/σ(I)> | 23.5 | 12.8 |
| Completeness [%] | 96.4 * | 90.3 * |
| Redundancy | 21.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 * | 293 | PEG 8000, lithium acetate, glycerol, MES-LiOH, Tris-HCl, pH 6.7, 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)) |
