9JAE
GMPK(S37P mutant)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-19 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.777, 87.750, 198.474 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.870 - 3.000 |
| R-factor | 0.2358 |
| Rwork | 0.233 |
| R-free | 0.28210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 9j8l |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.425 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.19_4092: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.140 | 3.180 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.171 | 0.521 |
| Rmeas | 0.194 | 0.595 |
| Rpim | 0.091 | 0.279 |
| Total number of observations | 63422 | 10308 |
| Number of reflections | 14767 | 2369 |
| <I/σ(I)> | 6.7 | 2.6 |
| Completeness [%] | 99.7 | |
| Redundancy | 4.3 | 4.4 |
| CC(1/2) | 0.987 | 0.834 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 20% w/v PEG 3350, 0.2 M di-Ammonium Tartrate |
