8K6U
Serial Femtosecond X-ray structure of E.coli Cyanase with un-modeled density at active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | PAL-XFEL BEAMLINE NCI |
Synchrotron site | PAL-XFEL |
Beamline | NCI |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2022-05-22 |
Detector | RAYONIX MX225-HS |
Wavelength(s) | 1.305 |
Spacegroup name | P 1 |
Unit cell lengths | 78.400, 80.900, 82.300 |
Unit cell angles | 70.00, 72.00, 65.00 |
Refinement procedure
Resolution | 57.130 - 1.900 |
R-factor | 0.1721 |
Rwork | 0.172 |
R-free | 0.20000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.057 |
Data scaling software | CrystFEL |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.900 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 266307 | 18842 |
<I/σ(I)> | 4.54 | 1.41 |
Completeness [%] | 100.0 | |
Redundancy | 295.4 | |
CC(1/2) | 0.960 | 0.350 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 7.3 | 293 | 50mM Tris-Cl (pH 7.3), 50 mM potassium phosphate, and 2.5 M ammonium sulfate |