28FA
Cysteate fatty acyltransferase holostructure from Capnocytophaga ochracea
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-09-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97861 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.078, 81.862, 145.669 |
| Unit cell angles | 90.00, 91.78, 90.00 |
Refinement procedure
| Resolution | 48.530 - 2.150 |
| R-factor | 0.2097 |
| Rwork | 0.207 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.939 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (("2.1_6048": ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.530 | 2.190 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.179 | 0.694 |
| Rpim | 0.431 | |
| Number of reflections | 108184 | 5318 |
| <I/σ(I)> | 9.3 | 3.5 |
| Completeness [%] | 97.2 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.993 | 0.412 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 300 | Sodium citrate tribasic dihydrate,2-Propanol |
