7ZD4
Crystal structure of Pseudomonas aeruginosa S-adenosyl-L-homocysteine hydrolase soaked with Cu+ ions
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU PhotonJet-R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-15 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 175.680, 133.570, 107.040 |
| Unit cell angles | 90.00, 105.22, 90.00 |
Refinement procedure
| Resolution | 35.290 - 2.140 |
| R-factor | 0.1834 |
| Rwork | 0.183 |
| R-free | 0.22670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6f3m |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.555 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.19.2.4158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 35.290 | 35.290 | 2.200 |
| High resolution limit [Å] | 2.140 | 9.580 | 2.140 |
| Rmerge | 0.191 | 0.038 | 0.803 |
| Rmeas | 0.221 | 0.046 | 1.061 |
| Number of reflections | 127941 | 1490 | 7724 |
| <I/σ(I)> | 5.09 | 15.12 | 1.09 |
| Completeness [%] | 98.0 | 97.3 | 80.1 |
| Redundancy | 3.792 | 3.04 | 1.69 |
| CC(1/2) | 0.990 | 0.997 | 0.538 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.03 M sodium fluoride, 0.03 M sodium bromide, 0.03 M sodium iodide, 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD, 0.1 M MOPS/HEPES-Na pH 7.5 |
