9K00
Crystal structure of Pyrococcus abyssi AIR synthetase
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 | 102.230, 113.116, 70.824 |
| Unit cell angles | 90.00, 105.96, 90.00 |
Refinement procedure
| Resolution | 29.170 - 2.000 |
| R-factor | 0.1713 |
| Rwork | 0.169 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 9jzw |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.059 |
| 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 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.066 | 0.586 |
| Number of reflections | 52465 | 2855 |
| <I/σ(I)> | 17.27 | 3.16 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 6.8 | 6.9 |
| CC(1/2) | 0.999 | 0.870 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | lithium sulfate, poly(acrylic acid sodium salt) 2100, HEPES |
