7F5N
Crystal structure of TCPTP catalytic domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 107 |
| Detector technology | CCD |
| Collection date | 2019-08-01 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 54.570, 68.056, 73.244 |
| Unit cell angles | 112.93, 106.46, 92.46 |
Refinement procedure
| Resolution | 19.948 - 1.930 |
| Rwork | 0.183 |
| R-free | 0.23760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1l8k |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.616 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.000 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.017 | 0.083 |
| Number of reflections | 63299 | 6637 |
| <I/σ(I)> | 41.6 | 9.7 |
| Completeness [%] | 92.0 | 96.3 |
| Redundancy | 2.2 | 2.2 |
| CC(1/2) | 0.990 | 0.980 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.15 M Ammonium nitrate, 0.1 M MES (pH-6.0), 20% v/v PEG smear medium, 5% v/v Ethylene glycol and 5.5 mM lysine dipeptide additive |
