1PNO
Crystal structure of R. rubrum transhydrogenase domain III bound to NADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-02-26 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.965 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 117.950, 117.950, 211.280 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.000 * - 2.100 |
| R-factor | 0.209 |
| Rwork | 0.209 |
| R-free | 0.23100 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| 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] | 29.000 * | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.076 * | 0.786 * |
| Total number of observations | 172564 * | |
| Number of reflections | 50245 | |
| <I/σ(I)> | 10.7 | |
| Completeness [%] | 98.5 | 99.6 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 5.5 | 24 * | ammonium sulfate, citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
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 | NADP | 1 (mM) | |
| 5 | 1 | drop | protein | 14 (mg/ml) | |
| 6 | 1 | reservoir | ammonium sulfate | 1.4 (M) | |
| 7 | 1 | reservoir | sodium citrate | 75 (mM) | pH5.5 |
