7L4D
The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase with cesium ion at the metal coordination site at 1.60 Angstrom resolution
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 | 2020-03-23 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 182.549, 59.188, 67.073 |
Unit cell angles | 90.00, 94.48, 90.00 |
Refinement procedure
Resolution | 39.060 - 1.600 |
R-factor | 0.1693 |
Rwork | 0.168 |
R-free | 0.19470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7k0b |
RMSD bond length | 0.007 |
RMSD bond angle | 1.516 |
Data reduction software | xia2 (0.5.902) |
Data scaling software | SCALA (3.3.22) |
Phasing software | MOLREP (11.7.02) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 90.995 | 39.063 | 1.690 |
High resolution limit [Å] | 1.598 | 5.060 | 1.600 |
Rmerge | 0.030 | 0.021 | 0.129 |
Rmeas | 0.053 | 0.047 | 0.170 |
Rpim | 0.032 | 0.029 | 0.103 |
Total number of observations | 7890 | 26522 | |
Number of reflections | 86510 | 3076 | 10401 |
<I/σ(I)> | 13.4 | 19.4 | 6.5 |
Completeness [%] | 92.0 | 99.2 | 76.2 |
Redundancy | 2.6 | 2.6 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 298 | 50 mM Bicine-CsOH, 9% PEG 8,000, 2 mM Spermine, pH 7.8 |