1UP6
Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.55 Angstrom resolution in the tetragonal form with manganese, NAD+ and glucose-6-phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 120 |
| Collection date | 2002-12-15 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 179.438, 179.438, 282.911 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.960 - 2.550 |
| R-factor | 0.202 |
| Rwork | 0.200 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1up4 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.423 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.640 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.100 | 0.366 |
| Number of reflections | 149303 | |
| <I/σ(I)> | 20.2 | 8 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 9.9 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 200 MM SODIUM FORMATE, 100MM SODIUM ACETATE PH 4.6, 5% PEG 4000. PROTEIN AT 5 MG/ML |
