1PT9
Crystal Structure Analysis of the DIII Component of Transhydrogenase with a Thio-Nicotinamide Nucleotide Analogue
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 57.400, 57.400, 251.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.820 * - 2.420 |
| Rwork | 0.219 |
| R-free | 0.27800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1djl |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.247 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.820 | 2.550 |
| High resolution limit [Å] | 2.420 | 2.420 |
| Rmerge | 0.077 * | 0.319 * |
| Total number of observations | 100817 * | |
| Number of reflections | 16825 * | 2312 * |
| <I/σ(I)> | 6.8 | 2.2 |
| Completeness [%] | 98.5 | 96.2 |
| Redundancy | 6.0 * | 4.9 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 | unpublished data, White, S.A., (2000) Structure Fold.Des., 8, 1. * |
