8HMO
Crystal Structure of metal-dependent hydrolase complexed with manganese from Bacillus smithii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-22 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9800 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 90.210, 70.198, 104.839 |
| Unit cell angles | 90.00, 105.77, 90.00 |
Refinement procedure
| Resolution | 43.450 - 2.530 |
| R-factor | 0.2528 |
| Rwork | 0.250 |
| R-free | 0.29870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.492 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.910 | 2.630 |
| High resolution limit [Å] | 2.530 | 2.530 |
| Rmerge | 0.101 | 0.549 |
| Rmeas | 0.121 | 0.649 |
| Rpim | 0.066 | 0.343 |
| Number of reflections | 41332 | 4429 |
| <I/σ(I)> | 8.2 | 2.2 |
| Completeness [%] | 97.3 | 99.9 |
| Redundancy | 3.3 | 3.5 |
| CC(1/2) | 0.952 | 0.745 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 293 | 35% 2-ethoxyethanol, 0.1 M Na/K phosphate buffer pH 6.2, 0.2 M NaCl |
