8Q0R
X-ray structure of MNEI mutant Mut9 (E23A, C41A, Y65R, S76Y)
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 11.2C |
| Synchrotron site | ELETTRA |
| Beamline | 11.2C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.96 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 134.120, 31.290, 46.100 |
| Unit cell angles | 90.00, 108.65, 90.00 |
Refinement procedure
| Resolution | 35.580 - 1.550 |
| Rwork | 0.221 |
| R-free | 0.27470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.625 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.580 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.043 | 0.489 |
| Rmeas | 0.052 | 0.612 |
| Rpim | 0.028 | 0.360 |
| Number of reflections | 27470 | 1225 |
| <I/σ(I)> | 16.3 | 2.3 |
| Completeness [%] | 94.7 | 84.6 |
| Redundancy | 3.3 | 2.8 |
| CC(1/2) | 0.999 | 0.690 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 30-33% PEG4K, 0.1 M sodium acetate buffer pH 4.5 and 0.2 M ammonium sulfate |
