6BDJ
Crystal structure of dioxygenase Tetur07g02040
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-08-12 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 61.091, 45.415, 83.040 |
| Unit cell angles | 90.00, 94.29, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.150 |
| R-factor | 0.21592 |
| Rwork | 0.214 |
| R-free | 0.24827 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.588 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.190 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.056 | 0.252 |
| Rmeas | 0.064 | 0.300 |
| Rpim | 0.032 | 0.160 |
| Number of reflections | 24133 | 929 |
| <I/σ(I)> | 32 | 3.4 |
| Completeness [%] | 95.3 | 72.3 |
| Redundancy | 4 | 3.1 |
| CC(1/2) | 0.963 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.2 M LiSO4, 0.1 M HEPES pH 7.5, 10%w/v PEG3350, 10 mM catechol |
