9EJ8
Structure of the Lactate Monooxygenase mutant Y44N, Y152F, H290S, T181A, F184P
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-01-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97934 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 110.803, 110.803, 169.659 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.780 - 1.420 |
| R-factor | 0.1594 |
| Rwork | 0.158 |
| R-free | 0.17770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.869 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.780 | 1.460 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.080 | 1.005 |
| Rmeas | 0.085 | 1.070 |
| Rpim | 0.028 | 0.364 |
| Total number of observations | 874780 | 59995 |
| Number of reflections | 98447 | 7123 |
| <I/σ(I)> | 15.7 | 2 |
| Completeness [%] | 99.9 | |
| Redundancy | 8.9 | 8.4 |
| CC(1/2) | 0.999 | 0.755 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | Lithium sulfate, Ammonium sulfate, Sodium citrate, pH 4.6 |
