6OSO
The crystal structure of the isolate tryptophan synthase alpha-chain from Salmonella enterica serovar typhimurium at 1.75 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 | 2018-11-28 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 70.940, 70.940, 203.401 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.604 - 1.750 |
R-factor | 0.1724 |
Rwork | 0.171 |
R-free | 0.20440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kkx |
Data reduction software | MOSFLM (7.2.2) |
Data scaling software | SCALA (3.3.22) |
Phasing software | MOLREP (11.6.04) |
Refinement software | PHENIX (1.15.1-3469) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 61.436 | 19.604 | 1.840 |
High resolution limit [Å] | 1.750 | 5.530 | 1.750 |
Rmerge | 0.035 | 0.487 | |
Rmeas | 0.083 | 0.039 | 0.525 |
Rpim | 0.023 | 0.011 | 0.144 |
Total number of observations | 404229 | 12936 | 56857 |
Number of reflections | 31527 | 1125 | 4472 |
<I/σ(I)> | 18.2 | 36.6 | 4.4 |
Completeness [%] | 99.9 | 97.5 | 99.8 |
Redundancy | 12.8 | 11.5 | 12.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 297 | 1.5-2.0 M ammonium sulfate |