1N55
0.83A resolution structure of the E65Q mutant of Leishmania mexicana triosephosphate isomerase complexed with 2-phosphoglycolate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.072, 50.580, 58.884 |
| Unit cell angles | 90.00, 118.09, 90.00 |
Refinement procedure
| Resolution | 25.000 - 0.830 |
| R-factor | 0.1026 * |
| Rwork | 0.095 |
| R-free | 0.10850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.026 |
| RMSD bond angle | 0.044 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 0.840 |
| High resolution limit [Å] | 0.830 | 0.830 |
| Rmerge | 0.029 | 0.394 |
| Number of reflections | 241678 | 11796 * |
| <I/σ(I)> | 34 | 3 |
| Completeness [%] | 99.3 | 97.2 |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 295 | Kursula, I., (2001) Eur. J. Biochem., 268, 5189. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG6000 | 20 (%) | |
| 2 | 1 | reservoir | acetic acid/NaOH | 0.1 (M) | pH4.5 |
