6TGH
SHMT from Streptococcus thermophilus Tyr55Thr variant in complex with D-Serine both as external aldimine and as non-covalent complex
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) | 0.9798 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 200.795, 112.930, 131.918 |
| Unit cell angles | 90.00, 93.10, 90.00 |
Refinement procedure
| Resolution | 47.760 - 2.120 |
| R-factor | 0.2391 |
| Rwork | 0.237 |
| R-free | 0.28360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wxb |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.647 |
| Data reduction software | iMOSFLM |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 98.000 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.200 |
| Rmerge | 0.050 | 0.050 |
| Number of reflections | 165927 | 157619 |
| <I/σ(I)> | 17.9 | |
| Completeness [%] | 99.3 | |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | PLP 0.1 mm D-Serine 100 mm cacodylate 0.1 M, pH 6.5 sodium citrate 0.85 M |
