7PF9
SynFtn Variant E141D
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 | 2020-06-17 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 176.607, 176.607, 176.607 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.520 - 1.550 |
| R-factor | 0.1606 |
| Rwork | 0.160 |
| R-free | 0.18050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ouw |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.645 |
| Data reduction software | autoPROC |
| 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] | 53.190 | 53.190 | 1.680 |
| High resolution limit [Å] | 1.520 | 7.330 | 1.640 |
| Rmerge | 0.067 | 0.027 | 3.380 |
| Rmeas | 0.067 | 0.027 | 3.402 |
| Rpim | 0.008 | 0.003 | 0.381 |
| Total number of observations | 25794 | 167257 | |
| Number of reflections | 36931 | 413 | 2114 |
| <I/σ(I)> | 46.5 | 181.8 | 2 |
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 78.5 | 62.5 | 79.1 |
| CC(1/2) | 1.000 | 1.000 | 0.813 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 289 | 2M NaCl |
