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Starting model (for MR) | Unpublished structure |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 |