7WKM
Crystal Structure of 2,3-Dihydroxybenzoate Decarboxylase Complexed with Catechol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-08-13 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 99.415, 99.415, 128.921 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.960 - 1.800 |
| R-factor | 0.1437 |
| Rwork | 0.142 |
| R-free | 0.17750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dvu |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.856 |
| Data reduction software | HKL-3000 (721.3) |
| Data scaling software | HKL-3000 (721.3) |
| Phasing software | PHENIX (1.16_3549) |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.082 | 0.611 |
| Rmeas | 0.084 | 0.625 |
| Number of reflections | 60515 | 6322 |
| <I/σ(I)> | 30.5 | 5.17 |
| Completeness [%] | 99.9 | |
| Redundancy | 23.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 300 | 0.2 M Sodium Chloride, 0.1 M Bis-Tris pH 5.5, 25% w/v PEG 3350 |
