8PTR
COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5r
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00002 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 90.883, 126.500, 60.177 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 73.810 - 1.730 |
R-factor | 0.1931 |
Rwork | 0.192 |
R-free | 0.20960 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.960 |
Data reduction software | XDS |
Data scaling software | SADABS |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 73.810 | 1.830 |
High resolution limit [Å] | 1.730 | 1.730 |
Rmerge | 0.065 | 0.890 |
Number of reflections | 36540 | 5559 |
<I/σ(I)> | 10.23 | |
Completeness [%] | 99.8 | |
Redundancy | 6.58 | |
CC(1/2) | 0.999 | 0.624 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M MES pH 6.5, 6 to 13% PEG MME 5K, 12% isopropanol |