9K1T
Crystal structure of mouse granzyme A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2020-10-26 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.904, 102.915, 118.800 |
| Unit cell angles | 90.00, 90.10, 90.00 |
Refinement procedure
| Resolution | 47.590 - 2.180 |
| R-factor | 0.258 |
| Rwork | 0.257 |
| R-free | 0.27770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.498 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.240 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.114 | 0.730 |
| Rmeas | 0.127 | 0.818 |
| Number of reflections | 65032 | 4516 |
| <I/σ(I)> | 7.81 | 2.09 |
| Completeness [%] | 98.1 | 93.8 |
| Redundancy | 5.36 | |
| CC(1/2) | 0.995 | 0.854 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 293 | 0.2 M ammonium nitrate, 21% PEG3350, 0.1 M sodium citrate pH 4.0 |
