2INE
Crystal Structure of 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 | 1996-11-04 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.876, 66.982, 92.085 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.178 |
| Rwork | 0.178 |
| R-free | 0.22600 |
| 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 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.087 | 0.258 |
| Number of reflections | 23369 | |
| <I/σ(I)> | 12.1 | 5.2 |
| Completeness [%] | 93.3 | 65.1 |
| Redundancy | 3.08 | 2.12 |
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 5.00, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
