7FVC
PanDDA analysis group deposition -- PHIP in complex with Z495704106
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 | 81.897, 27.340, 56.351 |
Unit cell angles | 90.00, 100.05, 90.00 |
Refinement procedure
Resolution | 27.760 - 1.180 |
R-factor | 0.1742 |
Rwork | 0.173 |
R-free | 0.19610 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 7av9 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.647 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.750 | 27.750 | 1.200 |
High resolution limit [Å] | 1.180 | 6.470 | 1.180 |
Rmerge | 0.043 | 0.058 | 0.215 |
Rmeas | 0.048 | 0.065 | 0.304 |
Rpim | 0.019 | 0.028 | 0.214 |
Total number of observations | 173051 | 1594 | 432 |
Number of reflections | 33449 | ||
<I/σ(I)> | 23.8 | 68.3 | 1 |
Completeness [%] | 81.9 | 99 | 19.1 |
Redundancy | 5.2 | 5.6 | 1.1 |
CC(1/2) | 0.997 | 0.991 | 0.945 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 20% PEG 8000, 0.04M potassium phosphate |