6TI1
SHMT from Streptococcus thermophilus Tyr55Ser variant in complex with PLP/L-Threonine/Lys230 gem diamine 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 | P 41 21 2 |
| Unit cell lengths | 114.708, 114.708, 192.063 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 98.480 - 2.000 |
| R-factor | 0.1778 |
| Rwork | 0.178 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wxg |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.863 |
| Data reduction software | XPREP |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 98.480 | 2.058 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.060 | 0.060 |
| Number of reflections | 87017 | 6377 |
| <I/σ(I)> | 10.3 | |
| Completeness [%] | 100.0 | |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | PLP 0.1M D-Threonine 100mM Cacodylate 0.1 ph 6.5 Sodium citrate 1M |
