7PF8
SynFtn Variant E141A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 176.850, 176.850, 176.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.572 - 1.850 |
| R-factor | 0.194 |
| Rwork | 0.193 |
| R-free | 0.21640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdbid 5OUW |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.708 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 62.530 | 62.530 | 1.860 |
| High resolution limit [Å] | 1.810 | 8.100 | 1.810 |
| Rmerge | 0.093 | 0.025 | 4.103 |
| Rmeas | 0.094 | 0.025 | 4.130 |
| Rpim | 0.011 | 0.003 | 0.468 |
| Total number of observations | 1726414 | 19780 | 123186 |
| Number of reflections | 22172 | 323 | 1600 |
| <I/σ(I)> | 35.4 | 138.6 | 1.5 |
| Completeness [%] | 100.0 | 98.5 | 100 |
| Redundancy | 77.9 | 61.2 | 77 |
| CC(1/2) | 1.000 | 1.000 | 0.847 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 289 | 2M NaCl |
