7L47
The internal aldimine form of the beta-K167T mutant Tryptophan Synthase from Salmonella at 1.55 Angstrom resolution with cesium ion at the metal coordination site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2020-03-05 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 181.979, 59.330, 67.070 |
| Unit cell angles | 90.00, 94.34, 90.00 |
Refinement procedure
| Resolution | 38.940 - 1.550 |
| R-factor | 0.1891 |
| Rwork | 0.188 |
| R-free | 0.21230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7k0b |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.590 |
| Data reduction software | iMOSFLM (7.2.2) |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 90.729 | 10.000 | 1.630 |
| High resolution limit [Å] | 1.550 | 4.900 | 1.550 |
| Rmerge | 0.060 | 0.024 | 0.551 |
| Rmeas | 0.091 | 0.050 | 0.768 |
| Rpim | 0.050 | 0.027 | 0.477 |
| Number of reflections | 99916 | 3376 | 11582 |
| <I/σ(I)> | 8.4 | 20 | 1.3 |
| Completeness [%] | 96.6 | 99.1 | 77.3 |
| Redundancy | 3 | 3.2 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 298 | 50 mM Bicine-CsOH, 10% PEG 8,000, 4 mM Spermine, pH 7.6 |
