1E92
Pteridine reductase 1 from Leishmania major complexed with NADP+ and dihydrobiopterin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 94.338, 103.801, 137.412 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.770 - 2.200 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e7w |
| RMSD bond length | 0.014 |
| RMSD bond angle | 22.000 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.740 | 2.250 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.077 * | 0.198 * |
| Total number of observations | 449654 * | |
| Number of reflections | 62471 | |
| <I/σ(I)> | 18.9 | 6.7 |
| Completeness [%] | 91.1 | 84.5 |
| Redundancy | 2.4 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7 * | 293 | Gourley, D.G., (1999) Acta Crystallogr., D55, 1608. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris-HCl | 20 (mM) | |
| 2 | 1 | drop | methotrexate | 1 (mM) | |
| 3 | 1 | drop | NADPH | 1 (mM) | |
| 4 | 1 | drop | dithiothreitol | 20 (mM) | |
| 5 | 1 | drop | protein | 20 (mg/ml) | |
| 6 | 1 | reservoir | PEG5000 | 11-14 (%) | |
| 7 | 1 | reservoir | sodium acetate | 100 (mM) | |
| 8 | 1 | reservoir | calcium acetate | 100 (mM) |
