7L36
PEPCK steady-state structure with Mn and GTP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.12 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.380, 118.550, 60.233 |
| Unit cell angles | 90.00, 109.53, 90.00 |
Refinement procedure
| Resolution | 41.000 - 1.840 |
| R-factor | 0.1548 |
| Rwork | 0.152 |
| R-free | 0.19880 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6p5o |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.752 |
| Data reduction software | DIALS |
| Data scaling software | Aimless (0.7.4) |
| Refinement software | PHENIX (1.17.1-3660) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.740 | 41.740 | 1.890 |
| High resolution limit [Å] | 1.840 | 8.230 | 1.840 |
| Rmerge | 0.233 | 0.109 | 1.496 |
| Rmeas | 0.247 | 0.115 | 1.761 |
| Rpim | 0.080 | 0.035 | 0.916 |
| Total number of observations | 470741 | 6291 | 12644 |
| Number of reflections | 50292 | 597 | 3611 |
| <I/σ(I)> | 8.7 | 19.6 | 1.1 |
| Completeness [%] | 99.2 | 99.5 | 96.5 |
| Redundancy | 9.4 | 10.5 | 3.5 |
| CC(1/2) | 0.987 | 0.991 | 0.383 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 298 | 25mM MnCl2, 25mM GTP, 19% PEG 3350, 100mM HEPES |
