6U3J
Structure of the 2-oxoadipate dehydrogenase DHTKD1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-19 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.92013 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 332.314, 72.612, 79.675 |
Unit cell angles | 90.00, 91.87, 90.00 |
Refinement procedure
Resolution | 49.010 - 2.250 |
R-factor | 0.2107 |
Rwork | 0.209 |
R-free | 0.24090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zhq |
RMSD bond length | 0.002 |
RMSD bond angle | 0.504 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.7.2) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.010 | 49.010 | 2.290 |
High resolution limit [Å] | 2.250 | 12.320 | 2.250 |
Rmerge | 0.239 | 0.106 | 1.178 |
Rmeas | 0.255 | 0.113 | 1.311 |
Rpim | 0.087 | 0.038 | 0.565 |
Total number of observations | 4989 | 22959 | |
Number of reflections | 90407 | 596 | 4390 |
<I/σ(I)> | 7 | 16.7 | 1.4 |
Completeness [%] | 99.9 | 98.4 | 98.6 |
Redundancy | 8.3 | 8.4 | 5.2 |
CC(1/2) | 0.991 | 0.989 | 0.504 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1M Magnesium Acetate, 0.1 M MOPS, 12% PEG 8000, 10% glycerol |