6OBU
PP1 Y134K in complex with Microcystin LR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-18 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.348, 78.362, 134.038 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.170 - 1.950 |
R-factor | 0.1668 |
Rwork | 0.165 |
R-free | 0.20190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mov |
RMSD bond length | 0.009 |
RMSD bond angle | 0.900 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.170 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.117 | 0.925 |
Number of reflections | 49637 | 2812 |
<I/σ(I)> | 10.9 | |
Completeness [%] | 97.3 | |
Redundancy | 7.3 | |
CC(1/2) | 0.997 | 0.553 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 289 | 20% PEG6000, 1 M lithium chloride, 0.1 M MES, pH 6.0 |