8HM9
X-ray Crystal Structure of Pseudoazurin Met16His Variant at pH 4.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-1A |
| Synchrotron site | Photon Factory |
| Beamline | BL-1A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-02-10 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 1.052 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.196, 60.476, 54.865 |
| Unit cell angles | 90.00, 105.81, 90.00 |
Refinement procedure
| Resolution | 39.770 - 1.360 |
| Rwork | 0.128 |
| R-free | 0.16030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yl4 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.650 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.770 | 1.380 |
| High resolution limit [Å] | 1.360 | 1.360 |
| Rmerge | 0.042 | 0.267 |
| Rmeas | 0.058 | 0.365 |
| Rpim | 0.039 | 0.247 |
| Number of reflections | 47237 | 2344 |
| <I/σ(I)> | 13.6 | |
| Completeness [%] | 99.3 | |
| Redundancy | 3.3 | 3 |
| CC(1/2) | 0.997 | 0.884 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 298 | 31% PEG1500, 0.1 M potassium phosphate (pH 4.0) |
