2PDK
Human aldose reductase mutant L301M complexed with sorbinil.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-02-17 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.420, 66.620, 47.370 |
Unit cell angles | 90.00, 91.86, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.550 |
R-factor | 0.159 |
Rwork | 0.159 |
R-free | 0.20100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1el3 |
RMSD bond length | 0.010 |
RMSD bond angle | 2.200 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.051 | 0.272 |
Number of reflections | 42955 | |
<I/σ(I)> | 23.7 | 2.7 |
Completeness [%] | 96.2 | 62.5 |
Redundancy | 2.9 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 20 % PEG 6000 in 120 mM ammonium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |