8RUO
D44E mutant crystal structure of LpMIP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-01-25 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 77.185, 77.185, 103.517 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.020 - 2.540 |
| R-factor | 0.25355 |
| Rwork | 0.250 |
| R-free | 0.31851 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.787 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MoRDa |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.020 | 2.631 |
| High resolution limit [Å] | 2.540 | 2.540 |
| Number of reflections | 10829 | 1047 |
| <I/σ(I)> | 13.5 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9 | |
| CC(1/2) | 0.950 | 0.780 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 298 | MES 50mM Magnesium chloride 500mM Zinc chloride 50mM PEG 8000 15% |
