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 |
