6GMI
Genetic Engineering of an Artificial Metalloenzyme for Transfer Hydrogenation of a Self-Immolative Substrate in E. coli's Periplasm.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 57.507, 57.507, 184.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.070 - 1.600 |
| R-factor | 0.18728 |
| Rwork | 0.187 |
| R-free | 0.19940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qcb |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.523 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.070 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.117 | 4.330 |
| Number of reflections | 20991 | |
| <I/σ(I)> | 15.6 | |
| Completeness [%] | 100.0 | |
| Redundancy | 25.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293 | 0.1 M SPG 9 pH (Buffer) 25 %w/v PEG 1500 (Precipitant) |
