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 |