3ATZ
Crystal structure of TcOYE with pHBA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-29 |
| Detector | Bruker DIP-6040 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.333, 119.587, 111.527 |
| Unit cell angles | 90.00, 90.35, 90.00 |
Refinement procedure
| Resolution | 37.180 - 2.040 |
| R-factor | 0.172 |
| Rwork | 0.172 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.120 |
| High resolution limit [Å] | 2.040 | 2.050 |
| Number of reflections | 78333 | |
| Completeness [%] | 100.0 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | PEG 2000, Ammonium fluoride, Urea, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
