6BGD
The crystal structure of the W145A variant of TpMglB-2 (Tp0684) with bound ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-12 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 75.834, 110.199, 89.304 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.900 - 1.470 |
| R-factor | 0.1154 |
| Rwork | 0.114 |
| R-free | 0.14390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jx2 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.264 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 37.900 |
| High resolution limit [Å] | 1.470 |
| Number of reflections | 60862 |
| <I/σ(I)> | 19.7 |
| Completeness [%] | 95.4 |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Na citrate 20% (w/v) PEG 3,350 |
