8PYQ
10 micrometer HEWL crystals solved at room-temperature using fixed-target serial crystallography.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SwissFEL ARAMIS BEAMLINE ESC |
Synchrotron site | SwissFEL ARAMIS |
Beamline | ESC |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2022-08-20 |
Detector | PSI JUNGFRAU 8M |
Wavelength(s) | 1.09 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 79.200, 79.200, 38.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.600 - 1.400 |
R-factor | 0.147 |
Rwork | 0.144 |
R-free | 0.17860 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.799 |
Data reduction software | CrystFEL (0.10.1) |
Data scaling software | CrystFEL (0.10.1) |
Phasing software | PHASER (1.20.1_4487) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.600 | 1.433 |
High resolution limit [Å] | 1.398 | 1.398 |
Number of reflections | 46389 | 3266 |
<I/σ(I)> | 4.56 | 0.55 |
Completeness [%] | 100.0 | |
Redundancy | 295 | |
CC(1/2) | 0.977 | 0.274 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 3 | 293 | 19.6% (w/v) NaCl, 5.6% (w/v) PEG 6000, 0.1 M NaAc pH 3.0 |