9IID
Crystal structure of PgAfp
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-07-30 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | H 3 |
| Unit cell lengths | 61.760, 61.760, 42.000 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 22.560 - 1.780 |
| R-factor | 0.1741 |
| Rwork | 0.172 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.938 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.560 | 1.844 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Number of reflections | 5627 | 489 |
| <I/σ(I)> | 57.92 | |
| Completeness [%] | 98.1 | |
| Redundancy | 8.3 | |
| CC(1/2) | 0.999 | 0.997 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | pH8.0, 3.2 M ammonium sulfate |
