1TMQ
STRUCTURE OF TENEBRIO MOLITOR LARVAL ALPHA-AMYLASE IN COMPLEX WITH RAGI BIFUNCTIONAL INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 79.160, 186.870, 111.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.000 - 2.500 |
| R-factor | 0.191 |
| Rwork | 0.191 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bip |
| RMSD bond length | 0.009 * |
| RMSD bond angle | 1.563 * |
| Data reduction software | MOSFLM (V. 5.30) |
| Data scaling software | CCP4 |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.560 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.093 | 0.284 |
| Total number of observations | 78106 * | |
| Number of reflections | 28178 | |
| <I/σ(I)> | 5.5 | 2.5 |
| Completeness [%] | 97.3 | 89.8 |
| Redundancy | 2.8 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.4 * | 4 * | 200MM AMMONIUM PHOSPHATE, 100MM TRIS-HCL, PH 8.5, 50% (W/V) 2-METHYL-2,4- PENTANEDIOL |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | sodium acetate | 5 (mM) | |
| 2 | 1 | drop | 0.1 (mM) | ||
| 3 | 1 | drop | 100 (mM) | ||
| 4 | 1 | drop | protein | 30 (mg/ml) | |
| 5 | 1 | reservoir | ammonium phosphate | 200 (mM) | |
| 6 | 1 | reservoir | Tris-HCl | 100 (mM) | |
| 7 | 1 | reservoir | MPD | 50 (%(w/v)) |
