7S5I
Crystal structure of Aldose-6-phosphate reductase (Ald6PRase) from peach (Prunus persica) leaves
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-06-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.008 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 178.360, 50.049, 82.506 |
| Unit cell angles | 90.00, 111.77, 90.00 |
Refinement procedure
| Resolution | 38.790 - 1.610 |
| R-factor | 0.1576 |
| Rwork | 0.157 |
| R-free | 0.17890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hqt |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.877 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.640 |
| High resolution limit [Å] | 1.610 | 4.370 | 1.610 |
| Rmerge | 0.057 | 0.042 | 0.400 |
| Rmeas | 0.062 | 0.046 | 0.431 |
| Rpim | 0.023 | 0.018 | 0.159 |
| Total number of observations | 624800 | ||
| Number of reflections | 86724 | 4266 | 4277 |
| <I/σ(I)> | 11.6 | ||
| Completeness [%] | 99.0 | 93.5 | 98.5 |
| Redundancy | 7.2 | 6.4 | 7.1 |
| CC(1/2) | 0.997 | 0.953 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 297 | 0.1 M HEPES and 20% (w/v) PEG 8000 |
