3V35
Aldose reductase complexed with a nitro compound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-03 |
Detector | OXFORD ONYX CCD |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.927, 68.158, 48.934 |
Unit cell angles | 90.00, 93.75, 90.00 |
Refinement procedure
Resolution | 24.402 - 1.900 |
R-factor | 0.1454 |
Rwork | 0.143 |
R-free | 0.18260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1us0 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.172 |
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] | 24.402 | 24.400 | 2.000 |
High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
Rmerge | 0.095 | 0.035 | 0.356 |
Number of reflections | 24241 | ||
<I/σ(I)> | 13.7 | 35.6 | 3.4 |
Completeness [%] | 99.6 | 98.7 | 97.3 |
Redundancy | 6.1 | 6.5 | 3.3 |
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 |