7SLI
Engineered sperm whale myoglobin-based carbene transferase MbBTIC-C2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-09-16 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 6 |
| Unit cell lengths | 90.440, 90.440, 45.230 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.230 - 2.000 |
| R-factor | 0.1453 |
| Rwork | 0.143 |
| R-free | 0.19200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Unpublished structure |
| Data reduction software | CrysalisPro (C171.41) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.730 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rpim | 0.044 | 0.091 |
| Number of reflections | 27689 | 1053 |
| <I/σ(I)> | 12.1 | 5.9 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 8.9 | 7 |
| CC(1/2) | 0.976 | 0.970 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.4 | 293.15 | 2.6 M Ammonium Sulfate, 20 mM tris-HCl pH 8.2, 0.1 mM EDTA |
