5J92
Crystal structure of a putative alpha-ketoglutarate dependent 2,4-D dioxygenase from Burkholderia xenovorans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-03-16 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 84.700, 77.880, 92.140 |
Unit cell angles | 90.00, 92.11, 90.00 |
Refinement procedure
Resolution | 48.121 - 1.950 |
R-factor | 0.1782 |
Rwork | 0.176 |
R-free | 0.21490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pvj |
RMSD bond length | 0.006 |
RMSD bond angle | 0.822 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (dev_2356) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.121 | 2.000 | |
High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
Rmerge | 0.073 | 0.022 | 0.511 |
Number of reflections | 85505 | ||
<I/σ(I)> | 15.17 | 43.5 | 2.79 |
Completeness [%] | 97.8 | 98 | 98.8 |
Redundancy | 4.22 | ||
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | Rigaku Reagents MCSG1 screen h3: 20% PEG 3350, 200mM LiCl; BuxeA.00024.e.B1 PS02518 at 19.1mg/ml, cryo protected in 80% mother liquor-20% ethylene glycol mix |