6QLA
CRYSTAL STRUCTURE OF THE PMGL2 ESTERASE (point mutant 1) 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 | 2017-01-29 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.140, 92.180, 74.460 |
| Unit cell angles | 90.00, 106.41, 90.00 |
Refinement procedure
| Resolution | 56.460 - 1.430 |
| R-factor | 0.1576 |
| Rwork | 0.156 |
| R-free | 0.18400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6qin |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.921 |
| Data reduction software | HKL-2000 |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 56.460 | 56.460 | 1.450 |
| High resolution limit [Å] | 1.430 | 7.820 | 1.430 |
| Rmerge | 0.075 | 0.030 | 0.959 |
| Rmeas | 0.082 | 0.032 | 1.060 |
| Rpim | 0.033 | 0.012 | 0.443 |
| Total number of observations | 654037 | 4869 | 28791 |
| Number of reflections | 110412 | 726 | 5265 |
| <I/σ(I)> | 12.4 | 36.7 | 1.8 |
| Completeness [%] | 98.0 | 99.9 | 95.2 |
| Redundancy | 5.9 | 6.7 | 5.5 |
| CC(1/2) | 0.999 | 0.999 | 0.626 |
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 |
