9DWP
Crystal Structure of C4-Dicarboxylate-Binding Protein (PA0884) of Tripartite ATP-independent Periplasmic Transporter Family from Pseudomonas aeruginosa PAO1 in Complex with Mesaconic Acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-19 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.12723 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.520, 67.200, 60.469 |
| Unit cell angles | 90.00, 106.47, 90.00 |
Refinement procedure
| Resolution | 29.700 - 1.320 |
| R-factor | 0.15853 |
| Rwork | 0.158 |
| R-free | 0.17727 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.411 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.340 |
| High resolution limit [Å] | 1.320 | 1.320 |
| Rmerge | 0.089 | 0.771 |
| Rmeas | 0.103 | 0.895 |
| Rpim | 0.051 | 0.445 |
| Number of reflections | 61217 | 3117 |
| <I/σ(I)> | 14.5 | 2.1 |
| Completeness [%] | 98.6 | 99.9 |
| Redundancy | 3.7 | 3.6 |
| CC(1/2) | 0.997 | 0.575 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | Protein: 8.5 mg/ml, 0.15M Sodium chloride, 0.02M Tris-HCl (pH 8.0), 2mM Mesaconic Acid; Screen: PEGs II (D11), 0.2M Magnesium chloride, 0.1M Tris (pH 8.5), 30% (w/v) PEG 4000; Cryo: Reservoir |
