3IS4
Crystal structure of Leishmania mexicana pyruvate kinase (LmPYK)in complex with 1,3,6,8-pyrenetetrasulfonic acid
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 | IMAGE PLATE |
| Collection date | 2008-11-18 |
| Detector | MAR555 FLAT PANEL |
| Wavelength(s) | 0.98 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 122.860, 129.860, 165.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.690 - 2.100 |
| R-factor | 0.23214 |
| Rwork | 0.231 |
| R-free | 0.26321 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pkl |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.990 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.690 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.076 | 0.527 |
| Number of reflections | 76957 | |
| <I/σ(I)> | 20.1 | 4.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9 | 8.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 277 | 12-16% Peg 8000, 20mM triethanolamine-HCl buffer (pH 7.2), 50mM MgCl2, 100mM KCl, 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
