5WSB
Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, allosteric activators AMP and Glucose 6-Phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-04-28 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.95370 |
| Spacegroup name | P 31 |
| Unit cell lengths | 125.631, 125.631, 144.514 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 62.820 - 2.250 |
| R-factor | 0.18898 |
| Rwork | 0.187 |
| R-free | 0.22782 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wrp |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.324 |
| 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] | 62.820 | 2.290 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Number of reflections | 120301 | |
| <I/σ(I)> | 9.9 | 1.4 |
| Completeness [%] | 99.3 | 92.1 |
| Redundancy | 5.1 | 2.8 |
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, 5 mM D-glucose 6-phosphate |
