8DDA
Crystal structure of human aminoadipate semialdehyde synthase (AASS), lysine ketoglutarate reductase (LKR) domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 1 |
| Unit cell lengths | 79.045, 80.533, 91.508 |
| Unit cell angles | 77.16, 67.64, 79.42 |
Refinement procedure
| Resolution | 78.040 - 2.400 |
| Rwork | 0.218 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q99 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.429 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.040 | 2.450 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.069 | 0.898 |
| Rmeas | 0.098 | 1.269 |
| Rpim | 0.069 | 0.898 |
| Number of reflections | 71194 | 4508 |
| <I/σ(I)> | 9 | 1.2 |
| Completeness [%] | 90.0 | 91.9 |
| Redundancy | 2.4 | 2.4 |
| CC(1/2) | 0.553 | 0.553 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 20% PEG3350 -- 10% ethylene glycol -- 0.2M sodium malonate |
