1PWM
Crystal structure of human Aldose Reductase complexed with NADP and Fidarestat
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-06-30 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.428, 67.042, 47.317 |
| Unit cell angles | 90.00, 92.09, 90.00 |
Refinement procedure
| Resolution | 10.000 - 0.920 |
| R-factor | 0.1042 |
| Rwork | 0.104 |
| R-free | 0.12800 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | ALDOSE REDUCTASE HOLOENZYME |
| RMSD bond length | 0.013 * |
| RMSD bond angle | 1.950 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 0.960 |
| High resolution limit [Å] | 0.920 | 0.920 |
| Rmerge | 0.036 | 0.159 |
| Number of reflections | 193488 | |
| <I/σ(I)> | 13.45 | 5.37 |
| Completeness [%] | 91.9 | 83.7 |
| Redundancy | 3.20 * | 2.96 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | PEG 6000, ammonium citrate, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | PEG6000 | 15 (%(w/v)) | |
| 2 | 1 | drop | ammonium citrate | 50 (mM) | pH5. |
| 3 | 1 | reservoir | PEG6000 | 20 (%) | |
| 4 | 1 | reservoir | ammonium citrate | 120 (mM) |
