9PEP
Crystal structure of holo-pvspha
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-05-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 242.963, 101.627, 172.001 |
| Unit cell angles | 90.00, 133.55, 90.00 |
Refinement procedure
| Resolution | 37.360 - 1.920 |
| R-factor | 0.1867 |
| Rwork | 0.184 |
| R-free | 0.22790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.794 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.190 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Number of reflections | 225818 | 11294 |
| <I/σ(I)> | 27.2 | |
| Completeness [%] | 98.3 | 98.8 |
| Redundancy | 6.8 | 6.4 |
| CC(1/2) | 0.994 | 0.798 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.1 M HEPES sodium pH 7.5, 1.4 M Sodium citrate tribasic dihydrate |
