6E6I
Crystal structure of 4-methyl HOPDA bound to LigY from Sphingobium sp. strain SYK-6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-01-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.978960 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 180.645, 195.099, 179.917 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.140 - 2.400 |
R-factor | 0.1833 |
Rwork | 0.183 |
R-free | 0.21930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5vn5 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.140 | 38.140 | 2.470 |
High resolution limit [Å] | 2.400 | 10.750 | 2.400 |
Rmerge | 0.108 | 0.033 | 0.694 |
Rmeas | 0.128 | 0.038 | 0.836 |
Number of reflections | 122972 | 2782 | 13568 |
<I/σ(I)> | 7.84 | 19.25 | 1.51 |
Completeness [%] | 96.6 | 97.5 | 74.7 |
Redundancy | 3.38 | 3.581 | 3.065 |
CC(1/2) | 0.996 | 0.999 | 0.668 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M Tris-Cl, 0.2 M lithium sulfate, 24% PEG4000 |