9IJF
Structure of ATP-dependent diazotase CmaA6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-11 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.03 |
| Spacegroup name | P 1 |
| Unit cell lengths | 94.163, 101.068, 157.411 |
| Unit cell angles | 76.31, 88.05, 62.28 |
Refinement procedure
| Resolution | 65.950 - 2.730 |
| R-factor | 0.1952 |
| Rwork | 0.194 |
| R-free | 0.25140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.021 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 152.340 | 2.780 |
| High resolution limit [Å] | 2.730 | 2.730 |
| Number of reflections | 130402 | 6508 |
| <I/σ(I)> | 18.8 | 2.4 |
| Completeness [%] | 98.7 | 98.17 |
| Redundancy | 3.7 | 3.7 |
| CC(1/2) | 0.972 | 0.764 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 200 mM magnesium formate dihydrate, 12% (w/v) PEG3350 |
