6ZL7
CRYSTAL STRUCTURE OF C173S MUTATION IN 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 | 2017-06-29 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.149, 92.530, 74.410 |
| Unit cell angles | 90.00, 106.61, 90.00 |
Refinement procedure
| Resolution | 56.540 - 1.500 |
| R-factor | 0.1702 |
| Rwork | 0.169 |
| R-free | 0.19580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6qin |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.891 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 56.540 | 56.480 | 1.530 |
| High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
| Rmerge | 0.067 | 0.035 | 0.561 |
| Rmeas | 0.073 | 0.037 | 0.612 |
| Rpim | 0.029 | 0.014 | 0.240 |
| Total number of observations | 4455 | 29127 | |
| Number of reflections | 95216 | 632 | 4656 |
| <I/σ(I)> | 16.1 | 44.4 | 3.1 |
| Completeness [%] | 97.6 | 99.7 | 95.9 |
| Redundancy | 6.3 | 7 | 6.3 |
| CC(1/2) | 0.999 | 0.999 | 0.865 |
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 |
