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 |