5WS9
Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, ATP and allosteric activator AMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-03-13 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.00004 |
| Spacegroup name | P 31 |
| Unit cell lengths | 127.190, 127.190, 144.924 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 60.540 - 1.900 |
| R-factor | 0.19812 |
| Rwork | 0.197 |
| R-free | 0.22292 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wrp |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.264 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.540 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 206700 | |
| <I/σ(I)> | 12 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.8 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 277 | 13% PEG 8000, 20% glycerol, 50 mM triethanolamine-HCl (TEA) buffer pH 7.2, 100 mM KCl, 50 mM MgCl2, 5 mM oxalate, 5 mM ATP, 5 mM AMP |
