8ZK6
Crystal structure of the Decarboxylase KDC4427 from Enterobacter sp. CGMCC 5087
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-12-30 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 138.230, 170.290, 115.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 78.680 - 1.940 |
| R-factor | 0.2086 |
| Rwork | 0.208 |
| R-free | 0.22380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.346 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.680 | 1.990 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.164 | 1.258 |
| Rmeas | 0.179 | 1.361 |
| Rpim | 0.070 | 0.517 |
| Total number of observations | 652693 | 50727 |
| Number of reflections | 100159 | 7413 |
| <I/σ(I)> | 9.8 | 1.6 |
| Completeness [%] | 99.4 | |
| Redundancy | 6.5 | 6.8 |
| CC(1/2) | 0.995 | 0.658 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1M calcium acetate, 0.1M sodium MES, pH 6.0, 13% PEG 400 |
