9DRI
Crystal structure of SphA in complex with VGQ intermedaite
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-1 |
| Synchrotron site | SSRL |
| Beamline | BL12-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.200, 71.873, 90.531 |
| Unit cell angles | 90.00, 113.81, 90.00 |
Refinement procedure
| Resolution | 35.940 - 1.850 |
| R-factor | 0.1958 |
| Rwork | 0.194 |
| R-free | 0.22960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.860 |
| 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] | 35.940 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.099 | 0.712 |
| Rpim | 0.041 | 0.290 |
| Number of reflections | 78980 | 3939 |
| <I/σ(I)> | 39.3 | |
| Completeness [%] | 98.2 | 99.5 |
| Redundancy | 6.7 | 6.9 |
| CC(1/2) | 0.992 | 0.879 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 4% (v/v) 2-propanol, 0.1 M Bis-Tris propane (pH 9.0), 20% (w/v) polyethyleneglycol monomethyl ether 5000 |
