6G4H
Crystal structure of the periplasmic domain of TgpA from Pseudomonas aeruginosa bound to ethylmercury
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-06-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00775 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 72.470, 72.470, 157.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.700 - 1.800 |
| R-factor | 0.15796 |
| Rwork | 0.156 |
| R-free | 0.18716 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.578 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5.8.0218) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.700 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 529624 | |
| <I/σ(I)> | 8.4 | 1.14 |
| Completeness [%] | 99.9 | |
| Redundancy | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 293 | Ammonium dihydrogen phosphate 0.7 M, pH 7.2 |
