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 |