3ZDS
Structure of homogentisate 1,2-dioxygenase in complex with reaction intermediates of homogentisate with oxygen.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 93.737, 93.857, 163.438 |
| Unit cell angles | 87.62, 80.39, 68.29 |
Refinement procedure
| Resolution | 34.370 - 1.700 |
| R-factor | 0.2055 |
| Rwork | 0.203 |
| R-free | 0.25180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eyb |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.190 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 35.000 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.080 | 0.530 |
| Number of reflections | 532721 | |
| <I/σ(I)> | 9.85 | 2.13 |
| Completeness [%] | 94.9 | 91.1 |
| Redundancy | 2.9 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | VAPOUR DIFFUSION (1:1 MIX): 17% PEG 3350, 0.02 M NAK PHOSPHATE AND 0.1 M BIS-TRIS PROPANE PH 8.0, 1MM TCEP, 2 MICROM HOMOGENTISATE, 15 MG/ML PROTEIN |
