9V37
crystal structure of ACAT2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2025-05-13 |
| Detector | DECTRIS EIGER2 X 1M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 113.588, 127.498, 131.224 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.270 - 2.170 |
| R-factor | 0.22829 |
| Rwork | 0.226 |
| R-free | 0.26835 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wl4 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.226 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.260 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.124 | 0.240 |
| Rmeas | 0.141 | |
| Rpim | 0.065 | |
| Number of reflections | 93913 | 7196 |
| <I/σ(I)> | 11.6 | |
| Completeness [%] | 93.4 | 72.6 |
| Redundancy | 4.6 | 4.2 |
| CC(1/2) | 0.988 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 10% v/v 2-Propanol, 0.1 M BICINE, 30% w/v Polyethylene glycol 1,500 |
