2F2K
Aldose reductase tertiary complex with NADPH and DEG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | MACSCIENCE |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-06-17 |
| Detector | MACSCIENCE |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.200, 66.700, 49.300 |
| Unit cell angles | 90.00, 92.25, 90.00 |
Refinement procedure
| Resolution | 29.880 - 1.940 |
| R-factor | 0.196 |
| Rwork | 0.196 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ads |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.800 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.990 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.090 | 0.307 |
| Number of reflections | 22676 | |
| <I/σ(I)> | 13.8 | 4.4 |
| Completeness [%] | 99.9 | 96 |
| Redundancy | 5.8 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | SODIUM CITRATE, PHOSPHATE, PEG 4000, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
