9M39
The crystal structure of DgpA2 protein from P581a bound to Isoschaftosid
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-02-08 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.830, 45.910, 104.730 |
| Unit cell angles | 90.00, 103.16, 90.00 |
Refinement procedure
| Resolution | 21.570 - 1.920 |
| R-factor | 0.2146 |
| Rwork | 0.214 |
| R-free | 0.23840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.823 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (4.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.920 |
| Number of reflections | 48994 | 3625 |
| <I/σ(I)> | 14.1 | |
| Completeness [%] | 99.8 | |
| Redundancy | 6.9 | |
| CC(1/2) | 0.990 | 0.890 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.18 M magnesium chloride hexahydrate 0.1 M Bis-Tris, pH 5.5 25% w/v PEG3350 |
