7ZCK
Room temperature crystal structure of PhnD from Synechococcus MITS9220 in complex with phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE VMXi |
| Synchrotron site | Diamond |
| Beamline | VMXi |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2020-12-02 |
| Detector | DECTRIS EIGER2 X 4M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 65.027, 40.683, 106.513 |
| Unit cell angles | 90.00, 92.78, 90.00 |
Refinement procedure
| Resolution | 53.170 - 1.800 |
| R-factor | 0.15352 |
| Rwork | 0.151 |
| R-free | 0.19705 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7s6g |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.629 |
| Data reduction software | xia2.multiplex |
| Data scaling software | xia2.multiplex |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.170 | 1.820 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.116 | 1.387 |
| Number of reflections | 26032 | 1271 |
| <I/σ(I)> | 14.4 | 1 |
| Completeness [%] | 99.8 | 97.02 |
| Redundancy | 8.7 | 5.5 |
| CC(1/2) | 0.998 | 0.416 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1M Tris pH 8.5, 25 % PEG 3350 |
