2ISF
Crystal Structure of C298A W219Y Aldose Reductase complexed with Phenylacetic Acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-11-18 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.070, 66.842, 92.118 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.2119 |
| Rwork | 0.209 |
| R-free | 0.26310 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1az1 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.067 | 0.278 |
| Number of reflections | 18241 | |
| <I/σ(I)> | 12.7 | 3.63 |
| Completeness [%] | 85.2 | 70.9 |
| Redundancy | 2.6 | 2.34 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 20 % PEG 6000, 50 mM Citrate, subsequent glutaraldehyde x-link, ligand soak, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
