9H4T
Crystal Structure of TorA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-14 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 93.662, 117.467, 100.053 |
| Unit cell angles | 90.00, 103.25, 90.00 |
Refinement procedure
| Resolution | 47.790 - 1.860 |
| R-factor | 0.2358 |
| Rwork | 0.235 |
| R-free | 0.28875 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.116 |
| Data reduction software | autoXDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (v1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.790 | 1.910 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmeas | 0.114 | 0.543 |
| Number of reflections | 159613 | 61348 |
| <I/σ(I)> | 7.45 | |
| Completeness [%] | 90.9 | 88.7 |
| Redundancy | 2.4 | 2.4 |
| CC(1/2) | 0.994 | 0.609 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 60% PEG 1000, 150 mM di-sodium DL-malate, pH 5.0, 4 mM sodium fluoride |
