8K6X
Crystal structure of E.coli Cyanase complex with cyanate and 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 | 2022-05-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 |
| Unit cell lengths | 78.136, 81.137, 81.172 |
| Unit cell angles | 70.61, 76.40, 65.34 |
Refinement procedure
| Resolution | 49.050 - 1.800 |
| R-factor | 0.1675 |
| Rwork | 0.167 |
| R-free | 0.21050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.972 |
| 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 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.240 | 0.900 |
| Number of reflections | 138728 | 6748 |
| <I/σ(I)> | 12.29 | 2.21 |
| Completeness [%] | 88.4 | |
| Redundancy | 3.8 | |
| CC(1/2) | 0.940 | 0.560 |
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 |
