6QIN
CRYSTAL STRUCTURE OF THE PMGL2 ESTERASE FROM PERMAFROST METAGENOMIC LIBRARY
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-28 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.010, 92.350, 74.230 |
| Unit cell angles | 90.00, 106.83, 90.00 |
Refinement procedure
| Resolution | 56.310 - 1.600 |
| R-factor | 0.1585 |
| Rwork | 0.157 |
| R-free | 0.18660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l1h |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.299 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.5.23) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 56.310 | 56.310 | 1.630 |
| High resolution limit [Å] | 1.600 | 8.760 | 1.600 |
| Rmerge | 0.140 | 0.117 | 0.653 |
| Rmeas | 0.153 | 0.127 | 0.716 |
| Rpim | 0.061 | 0.049 | 0.288 |
| Total number of observations | 477406 | ||
| Number of reflections | 77747 | 524 | 3808 |
| <I/σ(I)> | 7.8 | ||
| Completeness [%] | 97.4 | 99.8 | 95.9 |
| Redundancy | 6.1 | 7 | 5.9 |
| CC(1/2) | 0.985 | 0.984 | 0.833 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 288 | 250mM Magnesium chloride, 12-18% PEG3350, 100mM HEPES pH 7.5 |
