7FV7
PanDDA analysis group deposition -- PHIP in complex with Z1929967066
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 | 81.886, 27.518, 56.266 |
Unit cell angles | 90.00, 99.84, 90.00 |
Refinement procedure
Resolution | 55.440 - 1.250 |
R-factor | 0.1955 |
Rwork | 0.194 |
R-free | 0.22360 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 7av9 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.509 |
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] | 55.440 | 55.440 | 1.270 |
High resolution limit [Å] | 1.250 | 6.840 | 1.250 |
Rmerge | 0.099 | 0.074 | 2.017 |
Rmeas | 0.110 | 0.085 | 2.495 |
Rpim | 0.048 | 0.040 | 1.445 |
Total number of observations | 169612 | 1301 | 1689 |
Number of reflections | 29107 | ||
<I/σ(I)> | 19.1 | 69.9 | 1.2 |
Completeness [%] | 84.1 | 99.3 | 33.7 |
Redundancy | 5.8 | 5.4 | 3 |
CC(1/2) | 0.969 | 0.980 | 0.165 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 20% PEG 8000, 0.04M potassium phosphate |