8ETN
The X-ray Crystal Structure of Tri-Ketone Dioxygenase from Rice
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 | 2017-04-24 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.97795 |
Spacegroup name | P 41 |
Unit cell lengths | 73.565, 73.565, 259.828 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.780 - 3.160 |
R-factor | 0.2762 |
Rwork | 0.274 |
R-free | 0.31750 |
Structure solution method | SAD |
RMSD bond length | 0.016 |
RMSD bond angle | 2.002 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | REFMAC (5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.220 |
High resolution limit [Å] | 3.160 | 3.170 |
Rmerge | 0.146 | |
Rmeas | 0.152 | |
Rpim | 0.041 | |
Number of reflections | 23553 | 1150 |
<I/σ(I)> | 31.88 | 1.42 |
Completeness [%] | 99.9 | 98.5 |
Redundancy | 14.1 | 9.9 |
CC(1/2) | 0.812 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 0.1 M sodium citrate tribasic dihydrate buffer-pH 5.5; 22% PEG 100. |