8RKR
Structure of human DELTA-1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE (ALDH4A1) complexed with a monophosphate-tweezer
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9188 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.914, 85.158, 85.615 |
| Unit cell angles | 90.00, 103.14, 90.00 |
Refinement procedure
| Resolution | 48.470 - 1.200 |
| R-factor | 0.1656 |
| Rwork | 0.165 |
| R-free | 0.18800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.796 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.470 | 48.470 | 1.230 |
| High resolution limit [Å] | 1.200 | 5.370 | 1.200 |
| Rmerge | 0.080 | 0.027 | 2.218 |
| Rmeas | 0.086 | 0.029 | 2.406 |
| Total number of observations | 2106156 | ||
| Number of reflections | 312229 | 3604 | 22999 |
| <I/σ(I)> | 11.12 | 54.4 | 0.77 |
| Completeness [%] | 99.8 | 99.4 | 99.8 |
| Redundancy | 6.746 | 7.344 | 6.679 |
| CC(1/2) | 0.999 | 0.999 | 0.316 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 293 | 25% PEG 3350, 0.1M TRIS pH 8.5 |
