2Y61
Crystal structure of Leishmanial E65Q-TIM complexed with S-Glycidol phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 97.140, 52.470, 58.090 |
| Unit cell angles | 90.00, 117.85, 90.00 |
Refinement procedure
| Resolution | 10.000 - 0.990 |
| R-factor | 0.1057 |
| R-free | 0.12470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n55 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 0.034 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.020 |
| High resolution limit [Å] | 0.990 | 0.990 |
| Rmerge | 0.070 | 0.440 |
| Number of reflections | 140160 | |
| <I/σ(I)> | 21.4 | 3.8 |
| Completeness [%] | 97.7 | 95.3 |
| Redundancy | 5.5 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 293 | 21% PEG6000, 0.1 M SODIUM ACETATE PH 4.5-5.5, 1MM DTT, 1MM EDTA, 1MM NAN3 |
