5O1N
Crystal structure of human aminoadipate semialdehyde synthase, saccharopine dehydrogenase domain with N-[(2S)-2-Pyrrolidinylmethyl]-trifluoromethanesulfonamide bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-05 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97623 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 89.396, 89.396, 147.893 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.700 - 2.280 |
| R-factor | 0.26585 |
| Rwork | 0.265 |
| R-free | 0.28559 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5l76 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.997 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.700 | 2.340 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.076 | |
| Number of reflections | 28144 | 2038 |
| <I/σ(I)> | 15.9 | 1.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.3 | 10.8 |
| CC(1/2) | 1.000 | 0.758 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 285 | 25% PEG3350 -- 0.3M sodium malonate -- 0.1M tris pH 7.5 |
