9CTD
CtfAB F42TS45C mutant co-crystallized with acetyl-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-07-21 |
| Detector | MAR CCD 300 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 130.694, 130.694, 155.382 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.950 - 1.900 |
| R-factor | 0.1512 |
| Rwork | 0.151 |
| R-free | 0.17670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.274 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.950 | 1.968 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.146 | 0.620 |
| Rmeas | 0.152 | 0.644 |
| Number of reflections | 104715 | 10118 |
| <I/σ(I)> | 19.2 | 3.2 |
| Completeness [%] | 98.7 | 96.94 |
| Redundancy | 13.4 | 13.7 |
| CC(1/2) | 0.990 | 0.913 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 100 mM Na Acetate (pH 4.9-5.5), 6-10% PEG 3350 |
