5WS8
Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-07-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 31 |
| Unit cell lengths | 127.011, 127.011, 144.652 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 63.510 - 2.620 |
| R-factor | 0.17562 |
| Rwork | 0.173 |
| R-free | 0.21784 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wrp |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.181 |
| 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] | 63.510 | 2.670 |
| High resolution limit [Å] | 2.620 | 2.620 |
| Number of reflections | 78513 | |
| <I/σ(I)> | 10.6 | 2.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 277 | 12% 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 |
