6B1B
STRUCTURE OF 4-HYDROXYPHENYLACETATE 3-MONOOXYGENASE (HPAB), OXYGENASE COMPONENT FROM ESCHERICHIA COLI MUTANT XS6 (APO Enzyme)
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 | 2017-08-08 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.00 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 100.455, 100.455, 336.435 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.530 - 1.944 |
R-factor | 0.1518 |
Rwork | 0.152 |
R-free | 0.16610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5UM5 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.939 |
Data reduction software | HKL-2000 (V0.714) |
Data scaling software | SCALEPACK (V0.714) |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.360 | 1.980 |
High resolution limit [Å] | 1.944 | 1.944 |
Rmerge | 0.120 | 0.698 |
Number of reflections | 127481 | |
<I/σ(I)> | 29.736 | 8.449 |
Completeness [%] | 99.7 | 100 |
Redundancy | 17.2 | 16.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | HANGING DROP VAPOR DIFFUSION AT 291K USING 2 MICROLITER DROPS CONTAINING EQUAL VOLUMES OF PROTEIN SOLUTION AND A WELL SOLUTION CONTAINING 1.0 M SUCCINIC ACID, 0.1 M HEPES, AND 1% W/V POLYETHYLENE GLYCOL MONOMETHYL ETHER 2,000 AT PH 7.0. CRYOPROTECTANT WAS MADE BY ADDING 30 % (V/V) GLYCEROL TO THE PRECIPITANT COCKTAIL. |