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 |
