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 |