6TI3
Apo-SHMT from Streptococcus thermophilus Tyr55Ser variant in complex with D-Threonine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9330 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 200.393, 113.692, 133.147 |
| Unit cell angles | 90.00, 94.51, 90.00 |
Refinement procedure
| Resolution | 100.090 - 1.960 |
| R-factor | 0.1806 |
| Rwork | 0.181 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wxg |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.884 |
| Data reduction software | XPREP |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.090 | 2.016 |
| High resolution limit [Å] | 1.960 | 1.965 |
| Rmerge | 0.090 | 0.090 |
| Number of reflections | 208923 | 15299 |
| <I/σ(I)> | 9.8 | |
| Completeness [%] | 98.8 | |
| Redundancy | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | PLP 0.1M D-threonine 5mM Cacodylate 0.1M ph 6.5 Sodium citrate 1.2M |
