6J84
Crystal structure of TleB with hydroxyl analog
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-06-06 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.808, 84.241, 112.901 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.250 - 2.000 |
| R-factor | 0.181 |
| Rwork | 0.177 |
| R-free | 0.22550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6j82 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.958 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.930 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.081 | 0.506 |
| Number of reflections | 26485 | 1904 |
| <I/σ(I)> | 18.5 | 3.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.3 | 7.4 |
| CC(1/2) | 0.999 | 0.886 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 mM MES (pH 6.0) containing 1600 mM Na/Ka tartrate and 5% 1, 4-dioxane |
