1XHL
Crystal Structure of putative Tropinone Reductase-II from Caenorhabditis Elegans with Cofactor and Substrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-05-25 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 109.589, 109.589, 162.591 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.170 - 2.400 |
R-factor | 0.191 |
Rwork | 0.191 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | The search model was a model generated by the SWISS-MODEL server based on PDB entries 1SPX and 1RWB. |
RMSD bond length | 0.007 |
RMSD bond angle | 1.900 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.084 | 0.323 |
Number of reflections | 39301 | |
<I/σ(I)> | 12.3 | 2 |
Completeness [%] | 99.2 | 96.3 |
Redundancy | 5.2 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 65% MPD, 0.1M Mes, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |