7K0B
The internal aldimine form of Salmonella typhimurium Tryptophan Synthase mutant beta-Q114A with cesium ion at the metal coordination site. A random beta-P270L mutation was inserted during PCR step
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-04-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979200 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 182.939, 58.379, 67.199 |
| Unit cell angles | 90.00, 94.63, 90.00 |
Refinement procedure
| Resolution | 39.180 - 1.570 |
| R-factor | 0.2009 |
| Rwork | 0.199 |
| R-free | 0.23630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6x0c |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.688 |
| Data reduction software | XDS (Jun 1, 2017 BUILT=20170923) |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | MOLREP (11.7.02) |
| Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 91.171 | 39.185 | 1.650 |
| High resolution limit [Å] | 1.570 | 4.960 | 1.570 |
| Rmerge | 0.077 | 0.060 | 0.628 |
| Rmeas | 0.103 | 0.078 | 0.824 |
| Rpim | 0.047 | 0.036 | 0.377 |
| Total number of observations | 14472 | 65987 | |
| Number of reflections | 97213 | 3163 | 14190 |
| <I/σ(I)> | 9 | 22.6 | 2 |
| Completeness [%] | 98.6 | 97.6 | 99.1 |
| Redundancy | 4.7 | 4.6 | 4.7 |
| CC(1/2) | 0.995 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 50 mM Bicine-CsOH, 9% PEG 8,000, 4 mM Spermine |
