5VN5
Crystal structure of LigY from Sphingobium sp. strain SYK-6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-09-23 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.9795 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 60.020, 195.361, 178.249 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.614 - 1.900 |
R-factor | 0.1638 |
Rwork | 0.162 |
R-free | 0.18900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.853 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.5.14) |
Phasing software | PHASER (2.5.5) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 59.420 | 59.420 | 1.940 |
High resolution limit [Å] | 1.900 | 9.870 | 1.900 |
Rmerge | 0.080 | 0.039 | 0.515 |
Rmeas | 0.087 | 0.043 | 0.563 |
Rpim | 0.035 | 0.018 | 0.226 |
Number of reflections | 82888 | ||
<I/σ(I)> | 13.2 | ||
Completeness [%] | 100.0 | 99.3 | 100 |
Redundancy | 6.2 | 5.3 | 6.1 |
CC(1/2) | 0.998 | 0.998 | 0.825 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 0.1 M Tris-Cl, pH 7.5, 0.2 M lithium sulfate, ~24% PEG 4000 |