3HQO
Crystal structures of Leishmania mexicana pyruvate kinase (LmPYK) in complex with ATP and Oxalate
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 | 2007-12-08 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 107.516, 128.133, 204.361 |
| Unit cell angles | 90.00, 90.03, 90.00 |
Refinement procedure
| Resolution | 41.180 - 3.400 |
| R-factor | 0.25243 |
| Rwork | 0.251 |
| R-free | 0.28951 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pkl |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.009 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.480 | 3.580 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.210 | 0.520 |
| Number of reflections | 36748 | |
| <I/σ(I)> | 6.5 | 2.1 |
| Completeness [%] | 96.2 | 98.5 |
| Redundancy | 2.9 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 290 | 10-16% PEG8000, 20mM triethanolamine-HCl, 50mM MgCl2, 100mM KCl, 10-15% glycerol, pH7.2, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
