8B06
TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 25 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 | 2021-09-09 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.976300 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 181.789, 59.048, 67.092 |
| Unit cell angles | 90.00, 94.68, 90.00 |
Refinement procedure
| Resolution | 43.540 - 2.490 |
| R-factor | 0.2298 |
| Rwork | 0.228 |
| R-free | 0.26550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wsy |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.527 |
| 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] | 43.540 | 43.540 | 2.590 |
| High resolution limit [Å] | 2.490 | 8.980 | 2.490 |
| Rmerge | 0.234 | 0.063 | 2.111 |
| Rmeas | 0.253 | 0.069 | 2.279 |
| Rpim | 0.095 | 0.026 | 0.851 |
| Total number of observations | 173171 | 3673 | 19584 |
| Number of reflections | 24816 | 565 | 2781 |
| <I/σ(I)> | 6.7 | 23.4 | 1.2 |
| Completeness [%] | 99.2 | 98.1 | 99.4 |
| Redundancy | 7 | 6.5 | 7 |
| CC(1/2) | 0.992 | 0.997 | 0.542 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 300, Tris-HCl |
