7CNT
Structure of 2,5-dihydroxypridine Dioxygenase from Pseudomonas putida KT2440 in complex with product N-formylmaleamic acid formed via in crystallo reaction with 2,5-dihydroxypridine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-03-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9789 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 118.885, 125.916, 144.129 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.280 |
| R-factor | 0.2135 |
| Rwork | 0.211 |
| R-free | 0.26730 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.644 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.400 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmeas | 0.101 | 0.711 |
| Number of reflections | 98134 | 14230 |
| <I/σ(I)> | 8.7 | 3 |
| Completeness [%] | 99.2 | |
| Redundancy | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M Succnic acid PH7 20%PEG3350 |
