8K6S
Crystal structure of E.coli Cyanase complex with bicarbonate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 11C |
Synchrotron site | PAL/PLS |
Beamline | 11C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-05-03 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 |
Unit cell lengths | 77.834, 81.050, 81.098 |
Unit cell angles | 70.46, 76.23, 65.48 |
Refinement procedure
Resolution | 48.860 - 1.600 |
R-factor | 0.1767 |
Rwork | 0.176 |
R-free | 0.20320 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.950 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.180 | 0.530 |
Number of reflections | 197333 | 9945 |
<I/σ(I)> | 16.88 | 1.44 |
Completeness [%] | 88.4 | |
Redundancy | 3.9 | |
CC(1/2) | 0.970 | 0.760 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 7.3 | 293 | 50mM Tris-Cl (pH 7.3), 50 mM potassium phosphate, 2.5 M ammonium sulfate |