6MG5
Structure of full-length human lambda-6A light chain JTO in complex with coumarin 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2018-04-06 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.070, 84.219, 96.171 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.090 - 1.800 |
R-factor | 0.207 |
Rwork | 0.204 |
R-free | 0.26300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.401 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.100 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rpim | 0.051 | 0.760 |
Number of reflections | 47842 | 3416 |
<I/σ(I)> | 9.5 | 1 |
Completeness [%] | 98.0 | 95.9 |
Redundancy | 5.2 | 5 |
CC(1/2) | 1.000 | 0.460 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 296 | Crystals of JTO-FL were grown via sitting-drop vapor diffusion using a crystallization buffer consisting of 20% PEG 3350 and 0.2 M NH4H2PO4 at 23 degrees C. Both diamond-shaped and plate-shaped crystals were generated in the same drop using these conditions, but only the plate-shaped crystals produced usable diffraction data. To generate JTO-FL:ligand complexes, crystals of apo JTO-FL were soaked with a tenfold molar excess of ligand for 10 days. Crystals were harvested and immediately flash cooled in liquid nitrogen. |