7D51
Crystal structure of a truly knotted protein: cyclized YibK from Haemophilus influenzae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-05-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.738, 68.781, 84.357 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.670 - 2.680 |
| R-factor | 0.2398 |
| Rwork | 0.237 |
| R-free | 0.30110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mxi |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.170 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.780 |
| High resolution limit [Å] | 2.680 | 5.760 | 2.680 |
| Rmerge | 0.041 | 0.016 | 0.533 |
| Rmeas | 0.046 | 0.018 | 0.600 |
| Rpim | 0.021 | 0.008 | 0.269 |
| Total number of observations | 48699 | ||
| Number of reflections | 10224 | 1102 | 931 |
| <I/σ(I)> | 18.4 | ||
| Completeness [%] | 98.2 | 97.7 | 90.8 |
| Redundancy | 4.8 | 4.3 | 4.5 |
| CC(1/2) | 0.999 | 0.890 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | 0.1M MES (pH6.5), 16% PEG 20000 |
