2AGT
Aldose Reductase Mutant Leu 300 Pro complexed with Fidarestat
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 | 2004-07-24 |
| Detector | SBC-2 |
| Wavelength(s) | 0.65255 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.118, 66.724, 47.092 |
| Unit cell angles | 90.00, 92.79, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.000 |
| R-factor | 0.1059 |
| Rwork | 0.105 |
| R-free | 0.12890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pwm |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.032 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.040 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Number of reflections | 163149 | |
| <I/σ(I)> | 18.5 | 3.51 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 297 | PEG 6000 , pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 297.K |
