9UM4
CaPETaseM9 SEC loop of 9CL 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 | 2023-11-29 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.099, 74.498, 80.189 |
| Unit cell angles | 62.98, 87.75, 80.06 |
Refinement procedure
| Resolution | 28.140 - 1.630 |
| R-factor | 0.185 |
| Rwork | 0.183 |
| R-free | 0.21924 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7yme |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.698 |
| 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] | 50.000 | 1.690 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.322 | |
| Number of reflections | 101820 | 9465 |
| <I/σ(I)> | 6.42 | |
| Completeness [%] | 95.9 | |
| Redundancy | 3.1 | |
| CC(1/2) | 0.990 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% (w/v) PEG 3350, 0.2M ammonium phosphate monobasic |
