9K01
Crystal structure of Pyrococcus abyssi AIR synthetase bound to ADP
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 | 2024-05-02 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 106.017, 111.987, 71.119 |
| Unit cell angles | 90.00, 106.74, 90.00 |
Refinement procedure
| Resolution | 29.090 - 1.600 |
| R-factor | 0.167 |
| Rwork | 0.166 |
| R-free | 0.19270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.962 |
| 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 | 0.043 | 0.706 |
| Number of reflections | 103545 | 3360 |
| <I/σ(I)> | 22.24 | 2.8 |
| Completeness [%] | 99.9 | 98.4 |
| Redundancy | 6.8 | 6.6 |
| CC(1/2) | 0.999 | 0.808 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | lithium sulfate, poly(acrylic acid sodium salt) 2100, HEPES |
