8HKA
TPA bound-form of Periplasmic terephthalate binding protein (TBP) from Ideonella sakaiensis
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 | 2020-04-23 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.182, 54.101, 50.600 |
| Unit cell angles | 90.00, 104.55, 90.00 |
Refinement procedure
| Resolution | 20.670 - 1.020 |
| R-factor | 0.20567 |
| Rwork | 0.204 |
| R-free | 0.22927 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.827 |
| 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 | 1.040 |
| High resolution limit [Å] | 1.020 | 2.770 | 1.020 |
| Rmerge | 0.070 | 0.065 | 0.744 |
| Number of reflections | 122150 | 5860 | 6082 |
| <I/σ(I)> | 8.4 | ||
| Completeness [%] | 99.6 | 90.9 | 99.9 |
| Redundancy | 7 | 3.1 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 20 % PEG3350 and 0.2 M Ammonium iodide |
