6OBQ
PP1 H66K in complex with Microcystin LR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2019-03-13 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.34 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.916, 76.619, 130.927 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.040 - 1.840 |
| R-factor | 0.2317 |
| Rwork | 0.230 |
| R-free | 0.26020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mov |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.864 |
| Data reduction software | PROTEUM PLUS |
| Data scaling software | PROTEUM PLUS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.040 | 1.870 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.101 | 0.507 |
| Number of reflections | 57463 | 3512 |
| <I/σ(I)> | 5.74 | |
| Completeness [%] | 99.9 | |
| Redundancy | 7.8 | |
| CC(1/2) | 0.992 | 0.322 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 20% PEG6000, 1 M lithium chloride, 0.1 M MES |
