6YRW
SHMT from Streptococcus thermophilus Tyr55Ser variant as internal aldimine and as non-covalent complex with D-Ser
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-16 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9697 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 199.956, 113.657, 132.479 |
Unit cell angles | 90.00, 94.13, 90.00 |
Refinement procedure
Resolution | 47.850 - 2.500 |
R-factor | 0.1788 |
Rwork | 0.176 |
R-free | 0.22650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wxg |
RMSD bond length | 0.008 |
RMSD bond angle | 1.587 |
Data reduction software | XPREP |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.850 | 2.565 |
High resolution limit [Å] | 2.330 | 2.500 |
Number of reflections | 80329 | 73924 |
<I/σ(I)> | 41.89 | |
Completeness [%] | 76.0 | |
Redundancy | 1.59 | |
CC(1/2) | 0.950 | 0.950 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | PLP 5mM D-serine 100mM Cacodylate 0.1M ph 6.5 Sodium citrate 0.85M |