5UA0
Dimeric crystal structure of HTPA reductase from arabidopsis thaliana
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2015-06-10 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 124.549, 80.620, 92.790 |
| Unit cell angles | 90.00, 95.84, 90.00 |
Refinement procedure
| Resolution | 61.950 - 2.300 |
| R-factor | 0.2277 |
| Rwork | 0.226 |
| R-free | 0.25780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5u5i |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.455 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.5.15) |
| Phasing software | PHASER (2.5.7) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 61.950 | 61.950 | 2.380 |
| High resolution limit [Å] | 2.300 | 8.910 | 2.300 |
| Rmerge | 0.106 | 0.024 | 1.836 |
| Rmeas | 0.114 | ||
| Rpim | 0.042 | ||
| Total number of observations | 300898 | ||
| Number of reflections | 40722 | ||
| <I/σ(I)> | 13.6 | ||
| Completeness [%] | 100.0 | 99 | 99.8 |
| Redundancy | 7.4 | 6.5 | 7.2 |
| CC(1/2) | 0.999 | 1.000 | 0.499 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 291 | 1.6 M (NH4)2SO4 |
