8B03
TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 0 sec
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-08 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.976300 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 182.566, 60.445, 67.257 |
| Unit cell angles | 90.00, 94.67, 90.00 |
Refinement procedure
| Resolution | 44.150 - 2.220 |
| R-factor | 0.209 |
| Rwork | 0.208 |
| R-free | 0.23320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wsy |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.626 |
| 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] | 45.490 | 45.490 | 2.290 |
| High resolution limit [Å] | 2.220 | 8.880 | 2.220 |
| Rmerge | 0.243 | 0.051 | 1.584 |
| Rmeas | 0.263 | 0.056 | 1.713 |
| Rpim | 0.100 | 0.022 | 0.649 |
| Total number of observations | 249424 | 3976 | 22873 |
| Number of reflections | 36334 | 615 | 3307 |
| <I/σ(I)> | 6.9 | 25.4 | 1.4 |
| Completeness [%] | 99.9 | 99.3 | 100 |
| Redundancy | 6.9 | 6.5 | 6.9 |
| CC(1/2) | 0.993 | 0.998 | 0.713 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 300, Tris-HCl |
