6GG4
Crystal structure of M2 PYK in complex with Phenyalanine.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-02 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9174 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 97.370, 70.340, 168.640 |
| Unit cell angles | 90.00, 106.06, 90.00 |
Refinement procedure
| Resolution | 162.060 - 2.460 |
| R-factor | 0.19808 |
| Rwork | 0.197 |
| R-free | 0.22463 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fxj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.272 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 162.100 | 2.524 |
| High resolution limit [Å] | 2.460 | 2.460 |
| Number of reflections | 80146 | |
| <I/σ(I)> | 14.2 | |
| Completeness [%] | 98.8 | |
| Redundancy | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 290 | 10-16% PEG 3350, 100 mM sodium Cacodylate, 50 mM MgCl2, 100 mM KCl, |
