1L7E
Crystal Structure of R. rubrum Transhydrogenase Domain I with Bound NADH
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 | 2001-04-21 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.965 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.140, 116.680, 92.600 |
| Unit cell angles | 90.00, 106.28, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.900 |
| R-factor | 0.251 |
| Rwork | 0.251 |
| R-free | 0.28200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1l7d |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.330 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.119 * | 0.375 * |
| Total number of observations | 326796 * | |
| Number of reflections | 102189 | |
| <I/σ(I)> | 9.1 | 1.5 |
| Completeness [%] | 99.4 | 99.4 |
| Redundancy | 3.2 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 * | 4 * | mPEG 2K, Tris-HCl, Magnesium acetate, NADH, pH 7.5, VAPOR DIFFUSION, temperature 277.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 22 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 10 (mM) | pH8.0 |
| 3 | 1 | drop | ammonium sulfate | 10 (mM) | |
| 4 | 1 | drop | dithiothreitol | 1 (mM) | |
| 5 | 1 | drop | PMSF | 0.5 (mM) | |
| 6 | 1 | reservoir | PEG2000 | 18 (%(w/v)) | |
| 7 | 1 | reservoir | Tris-HCl | 100 (mM) | pH7.5 |
| 8 | 1 | reservoir | magnesium acetate | 1 (mM) |
