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 |