8EGZ
Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-02-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | I 4 |
Unit cell lengths | 164.566, 164.566, 84.254 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.130 - 1.900 |
R-factor | 0.1713 |
Rwork | 0.170 |
R-free | 0.19190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5dvz |
RMSD bond length | 0.019 |
RMSD bond angle | 1.467 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.970 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.160 | 2.430 |
Rpim | 0.040 | 0.670 |
Number of reflections | 88525 | 4524 |
<I/σ(I)> | 12 | |
Completeness [%] | 100.0 | |
Redundancy | 13.5 | |
CC(1/2) | 0.998 | 0.577 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 1.2 M sodium phosphate monobasic, 0.8 M potassium phosphate dibasic, 0.1 M N-cyclohexyl-3-aminopropanesulfonic acid (CAPS), 0.2 M lithium sulfate |