5WSA
Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate and allosteric activator 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 | 2016-06-27 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.95370 |
Spacegroup name | P 31 |
Unit cell lengths | 125.420, 125.420, 144.192 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 62.710 - 2.850 |
R-factor | 0.15315 |
Rwork | 0.151 |
R-free | 0.19534 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wrp |
RMSD bond length | 0.014 |
RMSD bond angle | 1.329 |
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] | 62.710 | 2.930 |
High resolution limit [Å] | 2.850 | 2.850 |
Number of reflections | 59240 | |
<I/σ(I)> | 13.7 | 3.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.6 | 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, 5 mM D-Glucose 6-Phosphate. |