3QTG
Crystal structure of pyruvate kinase from Pyrobaculum aerophilum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-24 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 116.300, 107.400, 105.000 |
| Unit cell angles | 90.00, 110.50, 90.00 |
Refinement procedure
| Resolution | 39.000 - 2.200 |
| R-factor | 0.208 |
| Rwork | 0.206 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pkl |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.370 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.053 | 0.403 |
| Number of reflections | 60944 | |
| <I/σ(I)> | 33.3 | 3.5 |
| Completeness [%] | 99.7 | 98.3 |
| Redundancy | 3.6 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 294 | 17% PEG 1500, 100mM Tris pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
