9UM7
CaPETaseM9 SEC loop of 12CL variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-08-31 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 77.952, 77.952, 350.627 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.680 - 1.260 |
| R-factor | 0.16559 |
| Rwork | 0.165 |
| R-free | 0.18428 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7yme |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.058 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 175.300 | 1.500 |
| High resolution limit [Å] | 1.260 | 1.440 |
| Rmerge | 0.788 | |
| Rmeas | 0.194 | |
| Number of reflections | 163278 | 15541 |
| <I/σ(I)> | 13.8 | |
| Completeness [%] | 99.5 | |
| Redundancy | 13.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 12% (w/v) PEG 3350, 4% (v/v) tacsimate pH 4.0 |
