6I7I
Crystal structure of dimeric FICD mutant K256A complexed with MgATP
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 | 2018-04-30 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 41.902, 73.983, 134.039 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.110 - 2.330 |
| R-factor | 0.28498 |
| Rwork | 0.283 |
| R-free | 0.32483 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4u0u |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.763 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 134.040 | 2.410 |
| High resolution limit [Å] | 2.320 | 2.320 |
| Rmerge | 0.107 | 0.636 |
| Rmeas | 0.141 | 0.831 |
| Rpim | 0.090 | 0.530 |
| Number of reflections | 18543 | 1712 |
| <I/σ(I)> | 5.6 | 1 |
| Completeness [%] | 99.4 | 97.3 |
| Redundancy | 3.7 | 3.7 |
| CC(1/2) | 0.995 | 0.567 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Bis-Tris pH 6.5; 0.2 M Magnesium Chloride; 25% PEG3350 |
