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 |