9BKE
STRUCTURE OF 4-HYDROXYPHENYLACETATE 3-MONOOXYGENASE (HPAB), OXYGENASE COMPONENT FROM ESCHERICHIA COLI MUTANT XS6 WITH AMP BOUND
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 | PIXEL |
| Collection date | 2017-08-08 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 100.233, 100.233, 335.996 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.740 - 1.950 |
| R-factor | 0.1839 |
| Rwork | 0.183 |
| R-free | 0.21320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.305 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.21_5207: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.990 |
| High resolution limit [Å] | 1.950 | 1.960 |
| Rmerge | 0.138 | 0.838 |
| Number of reflections | 180771 | 1856 |
| <I/σ(I)> | 18.83 | 2.15 |
| Completeness [%] | 99.1 | |
| Redundancy | 13.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 16% Polyethylene Glycol 8000, 0.08M Sodium Cacodylate pH 6.5 0.16M Magnesium Acetate tetrahydrate 20% glycerol |
