6GG3
Crystal structure of M2 PYK in complex with Alanine.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-04 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97624 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 160.722, 199.364, 243.234 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 154.190 - 3.720 |
| R-factor | 0.22105 |
| Rwork | 0.220 |
| R-free | 0.24879 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fxj |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.299 |
| 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] | 199.300 | 3.820 |
| High resolution limit [Å] | 3.720 | 3.720 |
| Number of reflections | 82644 | |
| <I/σ(I)> | 7.5 | |
| Completeness [%] | 95.3 | |
| Redundancy | 4.2 |
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 |
