8HFB
Evolved variant of quercetin 2,4-dioxygenase from Bacillus subtilis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-26 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.000030 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 94.299, 125.211, 119.008 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.190 - 2.240 |
| R-factor | 0.21517 |
| Rwork | 0.213 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2h0v |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.173 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.250 |
| High resolution limit [Å] | 2.210 | 6.000 | 2.210 |
| Rmerge | 0.108 | 0.066 | 0.811 |
| Number of reflections | 62098 | 3150 | 3133 |
| <I/σ(I)> | 4.7 | ||
| Completeness [%] | 99.3 | 100 | 99.3 |
| Redundancy | 6.2 | 7.3 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.25 | 295 | 18% PEG 3350, 0.1 M HEPES pH 7.25, 0.2 M CaCl2 |
