9GC8
Crystal structure of Pseudomonas aeruginosa IspD in complex with C11H12N2O3
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97926 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.150, 75.630, 37.630 |
| Unit cell angles | 90.00, 104.04, 90.00 |
Refinement procedure
| Resolution | 44.700 - 1.950 |
| R-factor | 0.1982 |
| Rwork | 0.197 |
| R-free | 0.22760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.612 |
| 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] | 44.700 | 2.070 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.051 | 0.963 |
| Rmeas | 0.061 | |
| Rpim | 0.033 | 0.613 |
| Number of reflections | 18291 | 3036 |
| <I/σ(I)> | 9.48 | |
| Completeness [%] | 98.7 | 98.57 |
| Redundancy | 3.3 | 1.28 |
| CC(1/2) | 0.998 | 0.707 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100 mM MES pH 6.5 26% PEG 400 |
