7FV9
PanDDA analysis group deposition -- PHIP in complex with Z1004253138
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-09-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.92124 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 81.711, 27.470, 56.685 |
Unit cell angles | 90.00, 100.42, 90.00 |
Refinement procedure
Resolution | 55.750 - 1.170 |
R-factor | 0.1873 |
Rwork | 0.185 |
R-free | 0.22720 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 7av9 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.534 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 55.750 | 55.750 | 1.319 |
High resolution limit [Å] | 1.174 | 3.696 | 1.174 |
Rmeas | 0.056 | 0.042 | 0.469 |
Rpim | 0.025 | 0.018 | 0.325 |
Total number of observations | 127770 | 7236 | 2403 |
Number of reflections | 28436 | ||
<I/σ(I)> | 14.5 | 40.5 | 2 |
Completeness [%] | 87.2 | 98.7 | 41.1 |
Redundancy | 4.5 | 5.1 | 1.7 |
CC(1/2) | 0.999 | 0.998 | 0.790 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 20% PEG 8000, 0.04M potassium phosphate |