3V36
Aldose reductase complexed with glceraldehyde
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-12 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.291, 66.588, 49.337 |
| Unit cell angles | 90.00, 91.83, 90.00 |
Refinement procedure
| Resolution | 23.647 - 2.000 |
| R-factor | 0.1627 |
| Rwork | 0.160 |
| R-free | 0.21070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1us0 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.154 |
| Data reduction software | CrysalisPro |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 24.040 | 24.010 | 2.110 |
| High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
| Rmerge | 0.124 | 0.040 | 0.402 |
| Number of reflections | 20690 | ||
| <I/σ(I)> | 9.7 | 26.9 | 3.2 |
| Completeness [%] | 99.4 | 97.2 | 96.5 |
| Redundancy | 4.2 | 4.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 120mM ammonium citrate pH 5.0, 20% (m/V) PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
