8ZKV
Crystal structure of mutant catalytic domains of threonine deaminase in complex with PLP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 147.567, 83.808, 143.245 |
| Unit cell angles | 90.00, 112.51, 90.00 |
Refinement procedure
| Resolution | 40.380 - 2.560 |
| R-factor | 0.1853 |
| Rwork | 0.183 |
| R-free | 0.23440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tdj |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.713 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.380 | 2.640 |
| High resolution limit [Å] | 2.560 | 2.560 |
| Rmerge | 0.138 | 0.902 |
| Rmeas | 0.150 | 0.978 |
| Rpim | 0.058 | 0.374 |
| Number of reflections | 52178 | 5170 |
| <I/σ(I)> | 9.9 | |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 6.7 | |
| CC(1/2) | 0.996 | 0.756 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 1.5 M (NH4)2SO4 and 0.1 M Tris pH 8.5 |
