7FUS
PanDDA analysis group deposition -- PHIP in complex with Z44602363
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 | 2022-09-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.92124 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 81.985, 27.444, 56.432 |
Unit cell angles | 90.00, 99.88, 90.00 |
Refinement procedure
Resolution | 55.590 - 1.150 |
R-factor | 0.2121 |
Rwork | 0.211 |
R-free | 0.22780 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 7av9 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.712 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 55.600 | 55.600 | 1.170 |
High resolution limit [Å] | 1.150 | 6.300 | 1.150 |
Rmerge | 0.068 | 0.097 | |
Rmeas | 0.074 | 0.107 | |
Rpim | 0.029 | 0.045 | |
Total number of observations | 174273 | 1790 | 131 |
Number of reflections | 33659 | ||
<I/σ(I)> | 16.9 | 39.3 | 0.9 |
Completeness [%] | 75.7 | 99.8 | 6 |
Redundancy | 5.2 | 5.9 | 1 |
CC(1/2) | 0.995 | 0.972 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 20% PEG 8000, 0.04M potassium phosphate |