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 |