8HKB
TPA bound-form of Periplasmic terephthalate binding protein (TBP) from Ideonella sakaiensis mutant K184D
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-03-07 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.054, 59.302, 54.298 |
| Unit cell angles | 90.00, 104.27, 90.00 |
Refinement procedure
| Resolution | 28.120 - 1.400 |
| R-factor | 0.15413 |
| Rwork | 0.153 |
| R-free | 0.18061 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.876 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (8.0) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 3.800 | 1.400 |
| Rmerge | 0.078 | 0.066 | 0.688 |
| Number of reflections | 48172 | 2383 | 2374 |
| <I/σ(I)> | 15.9 | ||
| Completeness [%] | 99.0 | 94.9 | 98.5 |
| Redundancy | 1.7 | 1.8 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 25 % PEG3350 and 0.2 M Ammonium citrate pH 7.0 |
