1PNQ
Crystal structure of R. rubrum transhydrogenase domain III bound to NADPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-01-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 118.270, 118.270, 212.830 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.700 * - 2.400 |
| R-factor | 0.215 |
| Rwork | 0.215 |
| R-free | 0.23100 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.150 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | BEAST |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.700 * | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.085 * | 0.635 * |
| Total number of observations | 317639 * | |
| Number of reflections | 34800 | |
| <I/σ(I)> | 17.3 | |
| Completeness [%] | 99.0 | 99 |
| Redundancy | 9.1 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 5.5 | 8 * | ammonium sulfate, citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 281K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris-HCl | 20 (mM) | pH8.2 |
| 2 | 1 | drop | dithiothreitol | 0.8 (mM) | |
| 3 | 1 | drop | PMSF | 0.4 (mM) | |
| 4 | 1 | drop | NADPH | 1 (mM) | |
| 5 | 1 | drop | protein | 14 (mg/ml) | |
| 6 | 1 | reservoir | ammonium sulfate | 0.6 (M) | |
| 7 | 1 | reservoir | sodium citrate | 30 (mM) | pH5.5 |
