8JKP
SP1746 in complex with dTMP
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 | 2021-12-09 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 68.919, 68.919, 88.332 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.409 - 2.100 |
| R-factor | 0.17085 |
| Rwork | 0.169 |
| R-free | 0.20806 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.320 |
| Data reduction software | HKL-2000 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.010 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 14622 | 1183 |
| <I/σ(I)> | 50.6 | |
| Completeness [%] | 99.9 | |
| Redundancy | 19.2 | |
| CC(1/2) | 1.000 | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 287.15 | 25% PEG4000, 0.15 M (NH4)2SO4, 0.1 M MES, pH 5.5 |
