7F06
Crystal Structure of 1144
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 | 2020-10-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.758, 71.391, 58.704 |
| Unit cell angles | 90.00, 105.11, 90.00 |
Refinement procedure
| Resolution | 22.910 - 1.950 |
| R-factor | 0.1764 |
| Rwork | 0.174 |
| R-free | 0.22060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6fsp |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.026 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASES |
| Refinement software | PHENIX (1.18.1_3865) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.042 | 0.380 |
| Rpim | 0.026 | 0.201 |
| Number of reflections | 24833 | 1205 |
| <I/σ(I)> | 29 | 3.1 |
| Completeness [%] | 99.6 | 99.1 |
| Redundancy | 6.6 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Polyethylene glycol 3350 |
