7XKG
Crystal structure of an intramolecular mesacyl-CoA transferase from the 3-hydroxypropionic acid cycle of Roseiflexus castenholzii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-12-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97892 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 364.413, 210.118, 73.476 |
| Unit cell angles | 90.00, 95.81, 90.00 |
Refinement procedure
| Resolution | 44.420 - 2.500 |
| R-factor | 0.1604 |
| Rwork | 0.159 |
| R-free | 0.19190 |
| Structure solution method | AB INITIO PHASING |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.147 | |
| Rmeas | 0.156 | 0.492 |
| Rpim | 0.059 | 0.189 |
| Number of reflections | 188922 | 9443 |
| <I/σ(I)> | 15.82 | 3.95 |
| Completeness [%] | 99.7 | 99.2 |
| Redundancy | 6.9 | 6.6 |
| CC(1/2) | 0.956 | 0.902 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291.15 | 14 % PEG4000, 0.1 M Sodium Citrate, 0.1 M Lithium sulfate |
