9VF9
GSTM1 in complex with bithionol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.209, 212.239, 91.645 |
| Unit cell angles | 90.00, 95.82, 90.00 |
Refinement procedure
| Resolution | 45.630 - 2.500 |
| R-factor | 0.23942 |
| Rwork | 0.238 |
| R-free | 0.26664 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.000 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.630 | 2.540 |
| High resolution limit [Å] | 2.490 | 2.500 |
| Rmerge | 0.170 | |
| Rpim | 0.116 | |
| Number of reflections | 65334 | 2895 |
| <I/σ(I)> | 7.03 | |
| Completeness [%] | 98.3 | |
| Redundancy | 2.9 | |
| CC(1/2) | 0.402 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Amino acids, 0.1 M MES pH 6.0 - 7.0, 40%-50% Mix1 (Mix1: 40% v/v PEG550*MME, 20% w/v PEG20000) |
