9GCA
Crystal structure of Pseudomonas aeruginosa IspD in complex with C8H8N2O
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-12-04 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 91.410, 75.590, 37.800 |
| Unit cell angles | 90.00, 104.76, 90.00 |
Refinement procedure
| Resolution | 44.200 - 2.170 |
| R-factor | 0.1996 |
| Rwork | 0.198 |
| R-free | 0.23540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.481 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.200 | 2.390 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.061 | 0.620 |
| Rmeas | 0.072 | 0.748 |
| Rpim | 0.037 | 0.411 |
| Number of reflections | 12788 | 2965 |
| <I/σ(I)> | 10.01 | |
| Completeness [%] | 96.0 | 88.62 |
| Redundancy | 3.6 | 3.3 |
| CC(1/2) | 0.996 | 0.843 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 26% PEG 500MME 100 mM MES pH 6.5 |
