9K04
Crystal structure of Pyrococcus abyssi AIR synthetase H239A mutant bound to ADP and Pi
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 07A |
| Synchrotron site | NSRRC |
| Beamline | TPS 07A |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2025-04-24 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.964, 112.216, 70.512 |
| Unit cell angles | 90.00, 105.82, 90.00 |
Refinement procedure
| Resolution | 26.930 - 1.600 |
| R-factor | 0.1578 |
| Rwork | 0.157 |
| R-free | 0.17670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 9k00 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.055 |
| Data reduction software | XDS (v20200131) |
| Data scaling software | XDS (v20200131) |
| Phasing software | PHENIX (1.21.2_5419) |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.620 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.062 | 0.777 |
| Number of reflections | 99620 | 3248 |
| <I/σ(I)> | 19.17 | 2.87 |
| Completeness [%] | 99.2 | 97.4 |
| Redundancy | 6.9 | 7 |
| CC(1/2) | 0.999 | 0.782 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | potassium chloride, pentaerythritol ethoxylate, glycine |
