9K05
Crystal structure of Pyrococcus abyssi AIR synthetase N186A mutant bound to FGAR and AMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2024-11-30 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.854, 112.294, 71.343 |
| Unit cell angles | 90.00, 106.33, 90.00 |
Refinement procedure
| Resolution | 28.070 - 1.800 |
| R-factor | 0.1604 |
| Rwork | 0.159 |
| R-free | 0.19250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.937 |
| 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 | 1.820 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.069 | 0.577 |
| Number of reflections | 71494 | 3520 |
| <I/σ(I)> | 11.68 | 2 |
| Completeness [%] | 99.2 | 94.7 |
| Redundancy | 3.5 | 3.1 |
| CC(1/2) | 0.998 | 0.695 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | lithium sulfate, poly(acrylic acid sodium salt) 2100, HEPES |
