3AU7
Crystal structure of the ZRD-deleted mutant of TiaS in complex with agmatine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2010-02-08 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 94.179, 94.179, 182.315 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.730 - 2.600 |
| R-factor | 0.215 |
| Rwork | 0.215 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 3AMT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.121 | 0.457 |
| Number of reflections | 15338 | |
| <I/σ(I)> | 27.6 | 4.3 |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 14.8 | 10.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 17.1% PEG 4000, 18% 2-propanol, 0.09M sodium citrate pH5.6, 0.5M sodium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
