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 |