6GG6
Crystal structure of M2 PYK in complex with Serine.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-08-01 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97624 |
| Spacegroup name | P 1 |
| Unit cell lengths | 93.350, 108.940, 124.340 |
| Unit cell angles | 89.72, 71.13, 66.94 |
Refinement procedure
| Resolution | 116.500 - 2.960 |
| R-factor | 0.23677 |
| Rwork | 0.236 |
| R-free | 0.25159 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fxj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.163 |
| 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] | 116.500 | 3.040 |
| High resolution limit [Å] | 2.960 | 2.960 |
| Number of reflections | 88052 | |
| <I/σ(I)> | 8.4 | |
| Completeness [%] | 98.6 | |
| Redundancy | 2.7 |
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 |
