3HQN
Apo crystal structure of Leishmania mexicana(LmPYK)pyruvate kinase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-09-18 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.98 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 120.579, 167.333, 132.199 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.320 - 2.000 |
| R-factor | 0.17064 |
| Rwork | 0.169 |
| R-free | 0.20906 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pkl |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.052 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.130 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.099 | 0.588 |
| Number of reflections | 89910 | |
| <I/σ(I)> | 15.2 | 3 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.2 | 7.3 |
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 |
