8B05
TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 20 sec
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P14 (MX2) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-07 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.976200 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 180.990, 59.108, 66.848 |
| Unit cell angles | 90.00, 94.60, 90.00 |
Refinement procedure
| Resolution | 45.100 - 2.100 |
| R-factor | 0.1924 |
| Rwork | 0.191 |
| R-free | 0.22740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wsy |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.890 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1-3660) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.100 | 45.100 | 2.160 |
| High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
| Rmerge | 0.270 | 0.086 | 2.018 |
| Rmeas | 0.292 | 0.095 | 2.177 |
| Rpim | 0.110 | 0.039 | 0.811 |
| Total number of observations | 285529 | 3126 | 23953 |
| Number of reflections | 40992 | 567 | 3366 |
| <I/σ(I)> | 6.4 | 17.8 | 1.5 |
| Completeness [%] | 99.2 | 97.2 | 99.1 |
| Redundancy | 7 | 5.5 | 7.1 |
| CC(1/2) | 0.992 | 0.989 | 0.582 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 300, Tris-HCl |
