3HQP
Crystal structure of Leishmania mexicana pyruvate kinase (LmPYK) in complex with ATP, Oxalate and fructose 2,6 bisphosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-07 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 |
| Unit cell lengths | 127.486, 151.140, 160.319 |
| Unit cell angles | 89.73, 80.17, 71.64 |
Refinement procedure
| Resolution | 34.460 - 2.300 |
| R-factor | 0.20111 |
| Rwork | 0.198 |
| R-free | 0.25198 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pkl |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.106 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.960 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.095 | 0.638 |
| Number of reflections | 470114 | |
| <I/σ(I)> | 8.2 | 1.3 |
| Completeness [%] | 94.7 | 90.8 |
| Redundancy | 1.9 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 277 | 10-16% PEG8000, 20mM triethanolamine-HCl, 50mM MgCl2, 100mM KCl, 10-15% glycerol, pH7.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
