1UYP
The three-dimensional structure of beta-fructosidase (invertase) from Thermotoga maritima
Replaces: 1UTWExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 197 |
| Detector technology | CCD |
| Collection date | 2003-06-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 94.480, 114.670, 130.030 |
| Unit cell angles | 90.00, 98.96, 90.00 |
Refinement procedure
| Resolution | 129.100 - 1.900 |
| R-factor | 0.179 |
| Rwork | 0.177 |
| R-free | 0.22000 |
| Structure solution method | SAD |
| RMSD bond length | 0.027 * |
| RMSD bond angle | 2.240 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | RESOLVE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.000 | 2.000 |
| High resolution limit [Å] | 2.000 * | 1.900 |
| Rmerge | 0.077 * | 0.402 * |
| Number of reflections | 184592 | |
| <I/σ(I)> | 6.5 | 1.9 |
| Completeness [%] | 99.9 | 99.9 * |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 4.2 | 20 * | 15 % PEG 1000, 150 MM LI2SO4, 100 MM CITRATE PHOSPHATE BUFFER PH 4.2 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | PEG1000 | 15 (%) | |
| 2 | 1 | drop | 150 (mM) | ||
| 3 | 1 | drop | sodium citrate | 100 (mM) | pH4.2 |
| 4 | 1 | drop | protein | 11 (mg/ml) | |
| 5 | 1 | reservoir | PEG1000 | 17 (%) | |
| 6 | 1 | reservoir | 50 (mM) | ||
| 7 | 1 | reservoir | isopropanol | 1 (%) | |
| 8 | 1 | reservoir | sodium citrate | 100 (mM) | pH4.2 |
