9SLT
human GSTA1 in the apo form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-10-07 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.967697 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.380, 93.570, 51.430 |
| Unit cell angles | 90.00, 92.94, 90.00 |
Refinement procedure
| Resolution | 50.120 - 1.687 |
| R-factor | 0.1692 |
| Rwork | 0.168 |
| R-free | 0.19710 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.890 |
| Data reduction software | TRUNCATE (8.0.016) |
| Data scaling software | Aimless |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.124 | 50.124 | 1.716 |
| High resolution limit [Å] | 1.687 | 4.578 | 1.687 |
| Rmerge | 0.088 | 0.043 | 1.455 |
| Rmeas | 0.095 | 0.047 | 1.566 |
| Rpim | 0.035 | 0.018 | 0.575 |
| Total number of observations | 379365 | 19601 | 19788 |
| Number of reflections | 52807 | 2730 | 2685 |
| <I/σ(I)> | 11.97 | 34.01 | 1.48 |
| Completeness [%] | 99.0 | 99.8 | 99.4 |
| Redundancy | 7.18 | 7.18 | 7.37 |
| CC(1/2) | 0.998 | 0.998 | 0.661 |
| Anomalous redundancy | 3.6 | 3.7 | 3.7 |
| CC(ano) | -0.138 | -0.122 | -0.024 |
| |DANO|/σ(DANO) | 0.8 | 0.7 | 0.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M NaF 25 % (w/v) PEG 3350 |
