8VHH
Engineered holo tryptophan synthase (Tm9D8*) derived from T. maritima TrpB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2022-05-31 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | I 4 |
Unit cell lengths | 165.698, 165.698, 83.061 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.990 - 2.150 |
R-factor | 0.2153 |
Rwork | 0.214 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6am7 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.481 |
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] | 45.990 | 2.210 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.174 | 2.190 |
Rpim | 0.049 | 0.642 |
Number of reflections | 61153 | 4440 |
<I/σ(I)> | 13.2 | |
Completeness [%] | 99.9 | |
Redundancy | 6.9 | |
CC(1/2) | 0.998 | 0.596 |
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 |