7LEV
The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with ammonium ion at the metal coordination site at 1.70 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 12.3.1 |
Synchrotron site | ALS |
Beamline | 12.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-01-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 183.389, 59.610, 67.230 |
Unit cell angles | 90.00, 95.01, 90.00 |
Refinement procedure
Resolution | 29.090 - 1.700 |
R-factor | 0.2079 |
Rwork | 0.206 |
R-free | 0.24560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6wdu |
Data reduction software | iMOSFLM (7.2.2) |
Data scaling software | SCALA (3.3.22) |
Phasing software | MOLREP (11.7.02) |
Refinement software | PHENIX (1.17.1-3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 91.344 | 29.086 | 1.790 |
High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
Rmerge | 0.073 | 0.050 | 0.316 |
Rmeas | 0.094 | 0.058 | 0.468 |
Rpim | 0.051 | 0.031 | 0.250 |
Total number of observations | 6407 | 39806 | |
Number of reflections | 78296 | 1980 | 11519 |
<I/σ(I)> | 7 | 13.1 | 2.3 |
Completeness [%] | 98.4 | 75.7 | 99.5 |
Redundancy | 3.3 | 3.2 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 298 | 50 mM Bicine-CsOH, 10% PEG 8,000, 2 mM Spermine, pH 7.8 |